diff --git a/latest/_sources/examples/Backtesting/full_lookup.md.txt b/latest/_sources/examples/Backtesting/full_lookup.md.txt index 22125eb5d..123414a2b 100644 --- a/latest/_sources/examples/Backtesting/full_lookup.md.txt +++ b/latest/_sources/examples/Backtesting/full_lookup.md.txt @@ -231,7 +231,7 @@ C)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1') C)=C1)C') - _______________________________________smiles_to_mordred_features - 0.2s, 0.0min + _______________________________________smiles_to_mordred_features - 0.3s, 0.0min ________________________________________________________________________________ @@ -252,68 +252,68 @@ C)=C1)C') _______________________________________smiles_to_mordred_features - 0.1s, 0.0min - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - 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[14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - - - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator - [14:35:34] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + [14:59:57] DEPRECATION WARNING: please use MorganGenerator + + + [14:59:58] DEPRECATION WARNING: please use MorganGenerator + [14:59:58] DEPRECATION WARNING: please use MorganGenerator + [14:59:58] DEPRECATION WARNING: please use MorganGenerator + [14:59:58] DEPRECATION WARNING: please use MorganGenerator + [14:59:58] DEPRECATION WARNING: please use MorganGenerator + [14:59:58] DEPRECATION WARNING: please use MorganGenerator + [14:59:58] DEPRECATION WARNING: please use MorganGenerator + [14:59:58] DEPRECATION WARNING: please use MorganGenerator + [14:59:58] DEPRECATION WARNING: please use MorganGenerator + [14:59:58] DEPRECATION WARNING: please use MorganGenerator + [14:59:58] DEPRECATION WARNING: please use MorganGenerator + [14:59:58] DEPRECATION WARNING: please use MorganGenerator Now we create another campaign that treats the substances as simple one-hot encoded diff --git a/latest/_sources/examples/Backtesting/multi_target.md.txt b/latest/_sources/examples/Backtesting/multi_target.md.txt index 3775f9a38..32488c151 100644 --- a/latest/_sources/examples/Backtesting/multi_target.md.txt +++ b/latest/_sources/examples/Backtesting/multi_target.md.txt @@ -165,20 +165,20 @@ print(results) ``` Scenario Monte_Carlo_Run Iteration Num_Experiments Target_1_Measurements \ - 0 BayBE 0 0 1 [16.0] + 0 BayBE 0 0 1 [12.0] 1 BayBE 0 1 2 [16.0] - 2 BayBE 1 0 1 [16.0] + 2 BayBE 1 0 1 [4.0] 3 BayBE 1 1 2 [16.0] Target_2_Measurements Target_1_IterBest Target_1_CumBest \ - 0 [511.0] 16.0 16.0 + 0 [287.0] 12.0 12.0 1 [511.0] 16.0 16.0 - 2 [511.0] 16.0 16.0 + 2 [31.0] 4.0 4.0 3 [511.0] 16.0 16.0 Target_2_IterBest Target_2_CumBest - 0 511.0 511.0 - 1 511.0 511.0 - 2 511.0 511.0 - 3 511.0 511.0 + 0 287.0 287.0 + 1 511.0 287.0 + 2 31.0 31.0 + 3 511.0 31.0 diff --git a/latest/_sources/examples/Basics/campaign.md.txt b/latest/_sources/examples/Basics/campaign.md.txt index 911b49f8e..d04b01bcd 100644 --- a/latest/_sources/examples/Basics/campaign.md.txt +++ b/latest/_sources/examples/Basics/campaign.md.txt @@ -119,13 +119,13 @@ print(recommendation) Recommended measurements with batch_size = 2: - Solvent Base Ligand \ - 230 Butyornitrile Potassium acetate BrettPhos - 313 DMAc Cesium acetate Di-tert-butylphenylphosphine + Solvent Base Ligand Temperature \ + 358 p-Xylene Cesium pivalate Di-tert-butylphenylphosphine 120.0 + 214 p-Xylene Cesium pivalate BrettPhos 120.0 - Temperature Concentration - 230 105.0 0.153 - 313 120.0 0.100 + Concentration + 358 0.1 + 214 0.1 Adding target values is done by creating a new column in the `recommendation` @@ -143,13 +143,13 @@ print(recommendation) Recommended experiments with fake measured values: - Solvent Base Ligand \ - 230 Butyornitrile Potassium acetate BrettPhos - 313 DMAc Cesium acetate Di-tert-butylphenylphosphine + Solvent Base Ligand Temperature \ + 358 p-Xylene Cesium pivalate Di-tert-butylphenylphosphine 120.0 + 214 p-Xylene Cesium pivalate BrettPhos 120.0 - Temperature Concentration yield - 230 105.0 0.153 25.504824 - 313 120.0 0.100 11.184203 + Concentration yield + 358 0.1 23.416661 + 214 0.1 27.810909 diff --git a/latest/_sources/examples/Basics/recommenders.md.txt b/latest/_sources/examples/Basics/recommenders.md.txt index 6b6c71ac6..66902504d 100644 --- a/latest/_sources/examples/Basics/recommenders.md.txt +++ b/latest/_sources/examples/Basics/recommenders.md.txt @@ -266,10 +266,15 @@ print(recommendation) Recommended experiments: - Solvent Base Ligand Temperature Concentration - 286 p-Xylene Potassium pivalate BrettPhos 120.0 0.100 - 171 p-Xylene Cesium acetate BrettPhos 90.0 0.057 - 226 Butyornitrile Potassium acetate BrettPhos 90.0 0.100 + Solvent Base Ligand Temperature \ + 196 Butyornitrile Cesium pivalate BrettPhos 120.0 + 81 Butyornitrile Potassium acetate (t-Bu)PhCPhos 90.0 + 283 p-Xylene Potassium pivalate BrettPhos 105.0 + + Concentration + 196 0.100 + 81 0.057 + 283 0.100 @@ -282,15 +287,15 @@ print(recommendation) Recommended experiments with fake measured values: - Solvent Base Ligand Temperature Concentration \ - 286 p-Xylene Potassium pivalate BrettPhos 120.0 0.100 - 171 p-Xylene Cesium acetate BrettPhos 90.0 0.057 - 226 Butyornitrile Potassium acetate BrettPhos 90.0 0.100 + Solvent Base Ligand Temperature \ + 196 Butyornitrile Cesium pivalate BrettPhos 120.0 + 81 Butyornitrile Potassium acetate (t-Bu)PhCPhos 90.0 + 283 p-Xylene Potassium pivalate BrettPhos 105.0 - yield - 286 14.181010 - 171 6.181388 - 226 6.446978 + Concentration yield + 196 0.100 2.524372 + 81 0.057 19.714731 + 283 0.100 32.259344 diff --git a/latest/_sources/examples/Constraints_Discrete/custom_constraints.md.txt b/latest/_sources/examples/Constraints_Discrete/custom_constraints.md.txt index a0a7c5a4f..3468feaf4 100644 --- a/latest/_sources/examples/Constraints_Discrete/custom_constraints.md.txt +++ b/latest/_sources/examples/Constraints_Discrete/custom_constraints.md.txt @@ -129,30 +129,30 @@ constraint = DiscreteCustomConstraint( searchspace = SearchSpace.from_product(parameters=parameters, constraints=[constraint]) ``` - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator - [14:32:26] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator + [14:57:08] DEPRECATION WARNING: please use MorganGenerator diff --git a/latest/_sources/examples/Constraints_Discrete/exclusion_constraints.md.txt b/latest/_sources/examples/Constraints_Discrete/exclusion_constraints.md.txt index b3363c00a..52ba6f04f 100644 --- a/latest/_sources/examples/Constraints_Discrete/exclusion_constraints.md.txt +++ b/latest/_sources/examples/Constraints_Discrete/exclusion_constraints.md.txt @@ -127,30 +127,30 @@ searchspace = SearchSpace.from_product( ) ``` - [14:32:38] DEPRECATION WARNING: please use MorganGenerator - [14:32:38] DEPRECATION WARNING: please use MorganGenerator - [14:32:38] DEPRECATION WARNING: please use MorganGenerator - [14:32:38] DEPRECATION WARNING: please use MorganGenerator - [14:32:38] DEPRECATION WARNING: please use MorganGenerator - [14:32:38] DEPRECATION WARNING: please use MorganGenerator - [14:32:38] DEPRECATION WARNING: please use MorganGenerator - [14:32:38] DEPRECATION WARNING: please use MorganGenerator - [14:32:38] DEPRECATION WARNING: please use MorganGenerator - [14:32:38] DEPRECATION WARNING: please use MorganGenerator - [14:32:38] DEPRECATION WARNING: please use MorganGenerator - [14:32:38] DEPRECATION WARNING: please use MorganGenerator - [14:32:39] DEPRECATION WARNING: please use MorganGenerator - [14:32:39] DEPRECATION WARNING: please use MorganGenerator - [14:32:39] DEPRECATION WARNING: please use MorganGenerator - [14:32:39] DEPRECATION WARNING: please use MorganGenerator - [14:32:39] DEPRECATION WARNING: please use MorganGenerator - [14:32:39] DEPRECATION WARNING: please use MorganGenerator - [14:32:39] DEPRECATION WARNING: please use MorganGenerator - [14:32:39] DEPRECATION WARNING: please use MorganGenerator - [14:32:39] DEPRECATION WARNING: please use MorganGenerator - [14:32:39] DEPRECATION WARNING: please use MorganGenerator - [14:32:39] DEPRECATION WARNING: please use MorganGenerator - [14:32:39] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator + [14:57:19] DEPRECATION WARNING: please use MorganGenerator diff --git a/latest/_sources/examples/Constraints_Discrete/prodsum_constraints.md.txt b/latest/_sources/examples/Constraints_Discrete/prodsum_constraints.md.txt index 52d4b9d1b..8a54a7ca6 100644 --- a/latest/_sources/examples/Constraints_Discrete/prodsum_constraints.md.txt +++ b/latest/_sources/examples/Constraints_Discrete/prodsum_constraints.md.txt @@ -126,15 +126,15 @@ constraints = [sum_constraint_1, sum_constraint_2, prod_constraint] searchspace = SearchSpace.from_product(parameters=parameters, constraints=constraints) ``` - [14:32:01] DEPRECATION WARNING: please use MorganGenerator - [14:32:01] DEPRECATION WARNING: please use MorganGenerator - [14:32:01] DEPRECATION WARNING: please use MorganGenerator - [14:32:01] DEPRECATION WARNING: please use MorganGenerator - [14:32:01] DEPRECATION WARNING: please use MorganGenerator - [14:32:01] DEPRECATION WARNING: please use MorganGenerator - [14:32:01] DEPRECATION WARNING: please use MorganGenerator - [14:32:01] DEPRECATION WARNING: please use MorganGenerator - [14:32:01] DEPRECATION WARNING: please use MorganGenerator + [14:56:46] DEPRECATION WARNING: please use MorganGenerator + [14:56:46] DEPRECATION WARNING: please use MorganGenerator + [14:56:46] DEPRECATION WARNING: please use MorganGenerator + [14:56:46] DEPRECATION WARNING: please use MorganGenerator + [14:56:46] DEPRECATION WARNING: please use MorganGenerator + [14:56:46] DEPRECATION WARNING: please use MorganGenerator + [14:56:46] DEPRECATION WARNING: please use MorganGenerator + [14:56:46] DEPRECATION WARNING: please use MorganGenerator + [14:56:46] DEPRECATION WARNING: please use MorganGenerator diff --git a/latest/_sources/examples/Custom_Hooks/basics.md.txt b/latest/_sources/examples/Custom_Hooks/basics.md.txt index e9976a606..fecf4cef0 100644 --- a/latest/_sources/examples/Custom_Hooks/basics.md.txt +++ b/latest/_sources/examples/Custom_Hooks/basics.md.txt @@ -134,5 +134,5 @@ recommendation = recommender.recommend(batch_size=3, searchspace=searchspace) Recommender type: RandomRecommender Search space parameters: ['Concentration', 'Temperature'] - Consumed time of RandomRecommender: 0.0018250059999900259 + Consumed time of RandomRecommender: 0.0015120079999633163 diff --git a/latest/_sources/examples/Custom_Surrogates/custom_pretrained.md.txt b/latest/_sources/examples/Custom_Surrogates/custom_pretrained.md.txt index b7e4a36d8..ffb8d6ec2 100644 --- a/latest/_sources/examples/Custom_Surrogates/custom_pretrained.md.txt +++ b/latest/_sources/examples/Custom_Surrogates/custom_pretrained.md.txt @@ -619,7 +619,7 @@ print(recommendation) Recommendation from campaign: Pressure[bar] Temperature[degree_C] index - 2 5.0 100.0 + 21 1.0 200.0 ## Using configuration instead diff --git a/latest/_sources/examples/Multi_Target/desirability.md.txt b/latest/_sources/examples/Multi_Target/desirability.md.txt index 9a11f251e..7ee3e65ff 100644 --- a/latest/_sources/examples/Multi_Target/desirability.md.txt +++ b/latest/_sources/examples/Multi_Target/desirability.md.txt @@ -245,22 +245,22 @@ for kIter in range(N_ITERATIONS): Recommended measurements with fake measured results: - Cat_1 Cat_2 Num_disc_1 Num_disc_2 Target_1 Target_2 Target_3 - 87 33 OK 3.0 -1.0 85.241612 73.168853 52.079754 - 137 33 OK 4.0 -6.0 63.208283 12.074579 53.588246 - 273 33 very good 8.0 -6.0 87.629185 6.426869 56.760005 + Cat_1 Cat_2 Num_disc_1 Num_disc_2 Target_1 Target_2 Target_3 + 11 22 bad 1.0 -1.0 31.958962 77.956174 53.432875 + 185 22 good 4.0 -6.0 34.010639 51.489415 54.146421 + 190 22 good 6.0 -3.0 69.065188 63.518928 56.218650 Internal measurement database with desirability values: - Cat_1 Cat_2 Num_disc_1 Num_disc_2 Target_1 Target_2 Target_3 \ - 0 33 OK 3.0 -1.0 85.241612 73.168853 52.079754 - 1 33 OK 4.0 -6.0 63.208283 12.074579 53.588246 - 2 33 very good 8.0 -6.0 87.629185 6.426869 56.760005 + Cat_1 Cat_2 Num_disc_1 Num_disc_2 Target_1 Target_2 Target_3 \ + 0 22 bad 1.0 -1.0 31.958962 77.956174 53.432875 + 1 22 good 4.0 -6.0 34.010639 51.489415 54.146421 + 2 22 good 6.0 -3.0 69.065188 63.518928 56.218650 BatchNr FitNr Desirability - 0 1 NaN 0.774423 - 1 1 NaN 0.766052 - 2 1 NaN 0.602966 + 0 1 NaN 0.582020 + 1 1 NaN 0.590461 + 2 1 NaN 0.487948 @@ -271,27 +271,27 @@ for kIter in range(N_ITERATIONS): Cat_1 Cat_2 Num_disc_1 Num_disc_2 Target_1 Target_2 Target_3 index - 138 33 OK 4.0 -3.0 4.969324 62.783598 55.042135 - 7 33 OK 1.0 -1.0 92.238736 52.680340 53.345652 - 136 33 OK 4.0 -9.0 85.046057 78.864893 52.995216 + 57 22 good 2.0 -6.0 5.345319 67.929784 52.857904 + 157 22 bad 6.0 -6.0 76.956340 76.594728 51.154380 + 83 22 OK 3.0 -1.0 49.242448 29.667012 53.795863 Internal measurement database with desirability values: - Cat_1 Cat_2 Num_disc_1 Num_disc_2 Target_1 Target_2 Target_3 \ - 0 33 OK 3.0 -1.0 85.241612 73.168853 52.079754 - 1 33 OK 4.0 -6.0 63.208283 12.074579 53.588246 - 2 33 very good 8.0 -6.0 87.629185 6.426869 56.760005 - 3 33 OK 4.0 -3.0 4.969324 62.783598 55.042135 - 4 33 OK 1.0 -1.0 92.238736 52.680340 53.345652 - 5 33 OK 4.0 -9.0 85.046057 78.864893 52.995216 + Cat_1 Cat_2 Num_disc_1 Num_disc_2 Target_1 Target_2 Target_3 \ + 0 22 bad 1.0 -1.0 31.958962 77.956174 53.432875 + 1 22 good 4.0 -6.0 34.010639 51.489415 54.146421 + 2 22 good 6.0 -3.0 69.065188 63.518928 56.218650 + 3 22 good 2.0 -6.0 5.345319 67.929784 52.857904 + 4 22 bad 6.0 -6.0 76.956340 76.594728 51.154380 + 5 22 OK 3.0 -1.0 49.242448 29.667012 53.795863 BatchNr FitNr Desirability - 0 1 1.0 0.774423 - 1 1 1.0 0.766052 - 2 1 1.0 0.602966 - 3 2 NaN 0.445223 - 4 2 NaN 0.758769 - 5 2 NaN 0.713812 + 0 1 1.0 0.582020 + 1 1 1.0 0.590461 + 2 1 1.0 0.487948 + 3 2 NaN 0.584406 + 4 2 NaN 0.784943 + 5 2 NaN 0.688931 #### ITERATION 3 #### @@ -300,33 +300,33 @@ for kIter in range(N_ITERATIONS): Cat_1 Cat_2 Num_disc_1 Num_disc_2 Target_1 Target_2 Target_3 index - 175 33 bad 6.0 -1.0 90.149818 43.316629 55.447761 - 169 33 bad 4.0 -6.0 23.427092 50.897653 52.532749 - 180 33 bad 10.0 -9.0 20.644694 33.659783 52.654431 + 128 22 OK 8.0 -9.0 96.493804 32.135000 53.832343 + 0 22 OK 1.0 -9.0 42.231795 72.983097 55.451881 + 133 22 OK 10.0 -6.0 83.044565 36.459249 51.191399 Internal measurement database with desirability values: - Cat_1 Cat_2 Num_disc_1 Num_disc_2 Target_1 Target_2 Target_3 \ - 0 33 OK 3.0 -1.0 85.241612 73.168853 52.079754 - 1 33 OK 4.0 -6.0 63.208283 12.074579 53.588246 - 2 33 very good 8.0 -6.0 87.629185 6.426869 56.760005 - 3 33 OK 4.0 -3.0 4.969324 62.783598 55.042135 - 4 33 OK 1.0 -1.0 92.238736 52.680340 53.345652 - 5 33 OK 4.0 -9.0 85.046057 78.864893 52.995216 - 6 33 bad 6.0 -1.0 90.149818 43.316629 55.447761 - 7 33 bad 4.0 -6.0 23.427092 50.897653 52.532749 - 8 33 bad 10.0 -9.0 20.644694 33.659783 52.654431 + Cat_1 Cat_2 Num_disc_1 Num_disc_2 Target_1 Target_2 Target_3 \ + 0 22 bad 1.0 -1.0 31.958962 77.956174 53.432875 + 1 22 good 4.0 -6.0 34.010639 51.489415 54.146421 + 2 22 good 6.0 -3.0 69.065188 63.518928 56.218650 + 3 22 good 2.0 -6.0 5.345319 67.929784 52.857904 + 4 22 bad 6.0 -6.0 76.956340 76.594728 51.154380 + 5 22 OK 3.0 -1.0 49.242448 29.667012 53.795863 + 6 22 OK 8.0 -9.0 96.493804 32.135000 53.832343 + 7 22 OK 1.0 -9.0 42.231795 72.983097 55.451881 + 8 22 OK 10.0 -6.0 83.044565 36.459249 51.191399 BatchNr FitNr Desirability - 0 1 1.0 0.774423 - 1 1 1.0 0.766052 - 2 1 1.0 0.602966 - 3 2 2.0 0.445223 - 4 2 2.0 0.758769 - 5 2 2.0 0.713812 - 6 3 NaN 0.625080 - 7 3 NaN 0.672814 - 8 3 NaN 0.695105 + 0 1 1.0 0.582020 + 1 1 1.0 0.590461 + 2 1 1.0 0.487948 + 3 2 2.0 0.584406 + 4 2 2.0 0.784943 + 5 2 2.0 0.688931 + 6 3 NaN 0.776001 + 7 3 NaN 0.469614 + 8 3 NaN 0.876377 ## Addendum: Description of `transformation` functions diff --git a/latest/_sources/examples/Searchspaces/continuous_space_botorch_function.md.txt b/latest/_sources/examples/Searchspaces/continuous_space_botorch_function.md.txt index e9e5d874c..1d3981ef6 100644 --- a/latest/_sources/examples/Searchspaces/continuous_space_botorch_function.md.txt +++ b/latest/_sources/examples/Searchspaces/continuous_space_botorch_function.md.txt @@ -133,7 +133,7 @@ print(recommendation) Recommended experiments with measured values: x_1 x_2 x_3 x_4 Target - 0 3.172750 1.039751 -4.977583 -0.861596 45.958809 - 1 -1.757303 -2.756958 3.926774 -0.730432 58.012535 - 2 4.843725 1.304284 1.419539 -0.787317 72.014160 + 0 -3.644480 -2.928140 -0.662919 -1.844958 62.440430 + 1 -0.045619 -2.514556 -4.964481 -1.366169 70.119774 + 2 0.391589 -2.783907 -0.552229 0.375061 70.543228 diff --git a/latest/_sources/examples/Searchspaces/continuous_space_custom_function.md.txt b/latest/_sources/examples/Searchspaces/continuous_space_custom_function.md.txt index 78eae2996..87fbc0d1a 100644 --- a/latest/_sources/examples/Searchspaces/continuous_space_custom_function.md.txt +++ b/latest/_sources/examples/Searchspaces/continuous_space_custom_function.md.txt @@ -122,8 +122,8 @@ print(recommendation) Recommended experiments with measured values: - x_1 x_2 x_3 x_4 Target - 0 1.494550 0.411141 1.892417 0.212702 6.029201 - 1 -1.619847 0.543003 -1.032726 0.384710 4.133281 - 2 -0.950593 -1.972372 1.311272 -1.712097 9.444589 + x_1 x_2 x_3 x_4 Target + 0 -1.902153 1.030508 1.726082 1.519702 9.968987 + 1 0.870317 1.960349 1.936257 -0.733952 8.888195 + 2 1.450415 -1.660644 -1.972575 -1.786927 11.945601 diff --git a/latest/_sources/examples/Searchspaces/discrete_space.md.txt b/latest/_sources/examples/Searchspaces/discrete_space.md.txt index 10d0b3cc3..8f210199d 100644 --- a/latest/_sources/examples/Searchspaces/discrete_space.md.txt +++ b/latest/_sources/examples/Searchspaces/discrete_space.md.txt @@ -158,8 +158,8 @@ print(recommendation) Recommended experiments with measured values: - x_1 x_2 x_3 x_4 Target - 61 5.120000 5.12 -5.120000 -1.706667 102.376076 - 74 1.706667 -5.12 -1.706667 1.706667 75.730431 - 204 5.120000 -5.12 5.120000 -5.120000 115.698898 + x_1 x_2 x_3 x_4 Target + 160 -5.12 1.706667 1.706667 -5.12 89.053253 + 108 5.12 1.706667 -1.706667 -5.12 89.053253 + 147 -5.12 -1.706667 1.706667 5.12 89.053253 diff --git a/latest/_sources/examples/Searchspaces/hybrid_space.md.txt b/latest/_sources/examples/Searchspaces/hybrid_space.md.txt index b40efaf62..adca7791b 100644 --- a/latest/_sources/examples/Searchspaces/hybrid_space.md.txt +++ b/latest/_sources/examples/Searchspaces/hybrid_space.md.txt @@ -205,7 +205,7 @@ print(recommendation) Recommended experiments with measured values: x_1 x_2 x_3 x_4 x_5 x_6 Target - 22 0.00 0.00 5.12 0.787583 -3.083072 -3.973986 63.968204 - 19 0.00 -5.12 5.12 -4.673685 1.502947 -0.031810 116.763351 - 23 5.12 0.00 5.12 4.327169 -2.786185 -2.387538 130.049500 + 2 5.12 -5.12 -5.12 2.927418 -3.230763 -0.073792 116.659180 + 22 0.00 0.00 5.12 -3.156180 2.929845 -2.061036 57.840946 + 25 0.00 5.12 5.12 1.128187 -2.933280 3.889018 89.123024 diff --git a/latest/examples/Backtesting/full_lookup.html b/latest/examples/Backtesting/full_lookup.html index 23e191789..03e1af1c7 100644 --- a/latest/examples/Backtesting/full_lookup.html +++ b/latest/examples/Backtesting/full_lookup.html @@ -1202,7 +1202,7 @@

Constructing campaigns for the simulation loop
_______________________________________smiles_to_mordred_features - 0.2s, 0.0min
+
_______________________________________smiles_to_mordred_features - 0.3s, 0.0min
 
 
 ________________________________________________________________________________
@@ -1223,68 +1223,68 @@ 
Constructing campaigns for the simulation loop

 

 
  Scenario  Monte_Carlo_Run  Iteration  Num_Experiments Target_1_Measurements  \
-0    BayBE                0          0                1                [16.0]   
+0    BayBE                0          0                1                [12.0]   
 1    BayBE                0          1                2                [16.0]   
-2    BayBE                1          0                1                [16.0]   
+2    BayBE                1          0                1                 [4.0]   
 3    BayBE                1          1                2                [16.0]   
 
   Target_2_Measurements  Target_1_IterBest  Target_1_CumBest  \
-0               [511.0]               16.0              16.0   
+0               [287.0]               12.0              12.0   
 1               [511.0]               16.0              16.0   
-2               [511.0]               16.0              16.0   
+2                [31.0]                4.0               4.0   
 3               [511.0]               16.0              16.0   
 
    Target_2_IterBest  Target_2_CumBest  
-0              511.0             511.0  
-1              511.0             511.0  
-2              511.0             511.0  
-3              511.0             511.0  
+0              287.0             287.0  
+1              511.0             287.0  
+2               31.0              31.0  
+3              511.0              31.0  
 

 

 
diff --git a/latest/examples/Basics/campaign.html b/latest/examples/Basics/campaign.html
index 7fb798c97..1d638f5c3 100644
--- a/latest/examples/Basics/campaign.html
+++ b/latest/examples/Basics/campaign.html
@@ -1080,13 +1080,13 @@ 
Getting a recommendation and adding measurements
Recommended measurements with batch_size = 2: 
-           Solvent               Base                        Ligand  \
-230  Butyornitrile  Potassium acetate                     BrettPhos   
-313           DMAc     Cesium acetate  Di-tert-butylphenylphosphine   
+      Solvent             Base                        Ligand  Temperature  \
+358  p-Xylene  Cesium pivalate  Di-tert-butylphenylphosphine        120.0   
+214  p-Xylene  Cesium pivalate                     BrettPhos        120.0   
 
-     Temperature  Concentration  
-230        105.0          0.153  
-313        120.0          0.100  
+     Concentration  
+358            0.1  
+214            0.1

Adding target values is done by creating a new column in the recommendation @@ -1099,13 +1099,13 @@

Getting a recommendation and adding measurements
Recommended experiments with fake measured values: 
-           Solvent               Base                        Ligand  \
-230  Butyornitrile  Potassium acetate                     BrettPhos   
-313           DMAc     Cesium acetate  Di-tert-butylphenylphosphine   
+      Solvent             Base                        Ligand  Temperature  \
+358  p-Xylene  Cesium pivalate  Di-tert-butylphenylphosphine        120.0   
+214  p-Xylene  Cesium pivalate                     BrettPhos        120.0   
 
-     Temperature  Concentration      yield  
-230        105.0          0.153  25.504824  
-313        120.0          0.100  11.184203  
+     Concentration      yield  
+358            0.1  23.416661  
+214            0.1  27.810909  
 
campaign.add_measurements(recommendation)
diff --git a/latest/examples/Basics/recommenders.html b/latest/examples/Basics/recommenders.html
index 400ce2665..00630dda1 100644
--- a/latest/examples/Basics/recommenders.html
+++ b/latest/examples/Basics/recommenders.html
@@ -1213,10 +1213,15 @@ 
Creating the campaign
Recommended experiments: 
-           Solvent                Base     Ligand  Temperature  Concentration
-286       p-Xylene  Potassium pivalate  BrettPhos        120.0          0.100
-171       p-Xylene      Cesium acetate  BrettPhos         90.0          0.057
-226  Butyornitrile   Potassium acetate  BrettPhos         90.0          0.100
+           Solvent                Base         Ligand  Temperature  \
+196  Butyornitrile     Cesium pivalate      BrettPhos        120.0   
+81   Butyornitrile   Potassium acetate  (t-Bu)PhCPhos         90.0   
+283       p-Xylene  Potassium pivalate      BrettPhos        105.0   
+
+     Concentration  
+196          0.100  
+81           0.057  
+283          0.100  
 
add_fake_results(recommendation, campaign.targets)
@@ -1225,15 +1230,15 @@ 
Creating the campaign
Recommended experiments with fake measured values: 
-           Solvent                Base     Ligand  Temperature  Concentration  \
-286       p-Xylene  Potassium pivalate  BrettPhos        120.0          0.100   
-171       p-Xylene      Cesium acetate  BrettPhos         90.0          0.057   
-226  Butyornitrile   Potassium acetate  BrettPhos         90.0          0.100   
+           Solvent                Base         Ligand  Temperature  \
+196  Butyornitrile     Cesium pivalate      BrettPhos        120.0   
+81   Butyornitrile   Potassium acetate  (t-Bu)PhCPhos         90.0   
+283       p-Xylene  Potassium pivalate      BrettPhos        105.0   
 
-         yield  
-286  14.181010  
-171   6.181388  
-226   6.446978  
+     Concentration      yield  
+196          0.100   2.524372  
+81           0.057  19.714731  
+283          0.100  32.259344  
 
campaign.add_measurements(recommendation)
diff --git a/latest/examples/Constraints_Discrete/custom_constraints.html b/latest/examples/Constraints_Discrete/custom_constraints.html
index 4272d24d9..f09042680 100644
--- a/latest/examples/Constraints_Discrete/custom_constraints.html
+++ b/latest/examples/Constraints_Discrete/custom_constraints.html
@@ -1100,30 +1100,30 @@ 
Creating the searchspace and the objective
searchspace = SearchSpace.from_product(parameters=parameters, constraints=[constraint])
-
[14:32:26] DEPRECATION WARNING: please use MorganGenerator
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+
[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
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+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
+[14:57:08] DEPRECATION WARNING: please use MorganGenerator
 

 

 
objective = SingleTargetObjective(target=NumericalTarget(name="yield", mode="MAX"))
diff --git a/latest/examples/Constraints_Discrete/exclusion_constraints.html b/latest/examples/Constraints_Discrete/exclusion_constraints.html
index d04df9954..b06fa85e2 100644
--- a/latest/examples/Constraints_Discrete/exclusion_constraints.html
+++ b/latest/examples/Constraints_Discrete/exclusion_constraints.html
@@ -1098,30 +1098,30 @@ 
Creating the searchspace and the objective)
 

 

-
[14:32:38] DEPRECATION WARNING: please use MorganGenerator
-[14:32:38] DEPRECATION WARNING: please use MorganGenerator
-[14:32:38] DEPRECATION WARNING: please use MorganGenerator
-[14:32:38] DEPRECATION WARNING: please use MorganGenerator
-[14:32:38] DEPRECATION WARNING: please use MorganGenerator
-[14:32:38] DEPRECATION WARNING: please use MorganGenerator
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-[14:32:38] DEPRECATION WARNING: please use MorganGenerator
-[14:32:38] DEPRECATION WARNING: please use MorganGenerator
-[14:32:38] DEPRECATION WARNING: please use MorganGenerator
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-[14:32:38] DEPRECATION WARNING: please use MorganGenerator
-[14:32:39] DEPRECATION WARNING: please use MorganGenerator
-[14:32:39] DEPRECATION WARNING: please use MorganGenerator
-[14:32:39] DEPRECATION WARNING: please use MorganGenerator
-[14:32:39] DEPRECATION WARNING: please use MorganGenerator
-[14:32:39] DEPRECATION WARNING: please use MorganGenerator
-[14:32:39] DEPRECATION WARNING: please use MorganGenerator
-[14:32:39] DEPRECATION WARNING: please use MorganGenerator
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-[14:32:39] DEPRECATION WARNING: please use MorganGenerator
+
[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
+[14:57:19] DEPRECATION WARNING: please use MorganGenerator
 

 

 
objective = SingleTargetObjective(target=NumericalTarget(name="Target_1", mode="MAX"))
diff --git a/latest/examples/Constraints_Discrete/prodsum_constraints.html b/latest/examples/Constraints_Discrete/prodsum_constraints.html
index 75f168001..0a84693a3 100644
--- a/latest/examples/Constraints_Discrete/prodsum_constraints.html
+++ b/latest/examples/Constraints_Discrete/prodsum_constraints.html
@@ -1097,15 +1097,15 @@ 
Creating the searchspace and the objective
searchspace = SearchSpace.from_product(parameters=parameters, constraints=constraints)
 

 

-
[14:32:01] DEPRECATION WARNING: please use MorganGenerator
-[14:32:01] DEPRECATION WARNING: please use MorganGenerator
-[14:32:01] DEPRECATION WARNING: please use MorganGenerator
-[14:32:01] DEPRECATION WARNING: please use MorganGenerator
-[14:32:01] DEPRECATION WARNING: please use MorganGenerator
-[14:32:01] DEPRECATION WARNING: please use MorganGenerator
-[14:32:01] DEPRECATION WARNING: please use MorganGenerator
-[14:32:01] DEPRECATION WARNING: please use MorganGenerator
-[14:32:01] DEPRECATION WARNING: please use MorganGenerator
+
[14:56:46] DEPRECATION WARNING: please use MorganGenerator
+[14:56:46] DEPRECATION WARNING: please use MorganGenerator
+[14:56:46] DEPRECATION WARNING: please use MorganGenerator
+[14:56:46] DEPRECATION WARNING: please use MorganGenerator
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+[14:56:46] DEPRECATION WARNING: please use MorganGenerator
+[14:56:46] DEPRECATION WARNING: please use MorganGenerator
+[14:56:46] DEPRECATION WARNING: please use MorganGenerator
+[14:56:46] DEPRECATION WARNING: please use MorganGenerator
 

 

 
objective = SingleTargetObjective(target=NumericalTarget(name="Target_1", mode="MAX"))
diff --git a/latest/examples/Custom_Hooks/basics.html b/latest/examples/Custom_Hooks/basics.html
index f7e5af26f..449a34037 100644
--- a/latest/examples/Custom_Hooks/basics.html
+++ b/latest/examples/Custom_Hooks/basics.html
@@ -1107,7 +1107,7 @@ 
Triggering the Hooks
 
Recommender type: RandomRecommender
 Search space parameters: ['Concentration', 'Temperature']
-Consumed time of RandomRecommender: 0.0018250059999900259
+Consumed time of RandomRecommender: 0.0015120079999633163
 

 

 
diff --git a/latest/examples/Custom_Surrogates/custom_pretrained.html b/latest/examples/Custom_Surrogates/custom_pretrained.html
index 3f08f4d82..33e1cf41c 100644
--- a/latest/examples/Custom_Surrogates/custom_pretrained.html
+++ b/latest/examples/Custom_Surrogates/custom_pretrained.html
@@ -1569,7 +1569,7 @@ 
Model Outputs
Recommendation from campaign:
        Pressure[bar]  Temperature[degree_C]
 index                                      
-2                5.0                  100.0
+21               1.0                  200.0
 

 

 
diff --git a/latest/examples/Multi_Target/desirability.html b/latest/examples/Multi_Target/desirability.html
index 5ac00b6d2..e96e54417 100644
--- a/latest/examples/Multi_Target/desirability.html
+++ b/latest/examples/Multi_Target/desirability.html
@@ -1203,22 +1203,22 @@ 
Performing some iterations
 
Recommended experiments with measured values: 
         x_1       x_2       x_3       x_4     Target
-0  3.172750  1.039751 -4.977583 -0.861596  45.958809
-1 -1.757303 -2.756958  3.926774 -0.730432  58.012535
-2  4.843725  1.304284  1.419539 -0.787317  72.014160
+0 -3.644480 -2.928140 -0.662919 -1.844958  62.440430
+1 -0.045619 -2.514556 -4.964481 -1.366169  70.119774
+2  0.391589 -2.783907 -0.552229  0.375061  70.543228
 

 

 
diff --git a/latest/examples/Searchspaces/continuous_space_custom_function.html b/latest/examples/Searchspaces/continuous_space_custom_function.html
index 0dc55f289..658c90064 100644
--- a/latest/examples/Searchspaces/continuous_space_custom_function.html
+++ b/latest/examples/Searchspaces/continuous_space_custom_function.html
@@ -1082,10 +1082,10 @@ 
Constructing the campaign and performing a recommendation
Recommended experiments with measured values: 
-        x_1       x_2       x_3       x_4    Target
-0  1.494550  0.411141  1.892417  0.212702  6.029201
-1 -1.619847  0.543003 -1.032726  0.384710  4.133281
-2 -0.950593 -1.972372  1.311272 -1.712097  9.444589
+        x_1       x_2       x_3       x_4     Target
+0 -1.902153  1.030508  1.726082  1.519702   9.968987
+1  0.870317  1.960349  1.936257 -0.733952   8.888195
+2  1.450415 -1.660644 -1.972575 -1.786927  11.945601
 

 

 
diff --git a/latest/examples/Searchspaces/discrete_space.html b/latest/examples/Searchspaces/discrete_space.html
index 73cd03b8b..f52e51c78 100644
--- a/latest/examples/Searchspaces/discrete_space.html
+++ b/latest/examples/Searchspaces/discrete_space.html
@@ -1111,10 +1111,10 @@ 
Constructing the campaign and performing a recommendation
Recommended experiments with measured values: 
-          x_1   x_2       x_3       x_4      Target
-61   5.120000  5.12 -5.120000 -1.706667  102.376076
-74   1.706667 -5.12 -1.706667  1.706667   75.730431
-204  5.120000 -5.12  5.120000 -5.120000  115.698898
+      x_1       x_2       x_3   x_4     Target
+160 -5.12  1.706667  1.706667 -5.12  89.053253
+108  5.12  1.706667 -1.706667 -5.12  89.053253
+147 -5.12 -1.706667  1.706667  5.12  89.053253
 

 

 
diff --git a/latest/examples/Searchspaces/hybrid_space.html b/latest/examples/Searchspaces/hybrid_space.html
index 94a7ca5a6..5b49e8b8f 100644
--- a/latest/examples/Searchspaces/hybrid_space.html
+++ b/latest/examples/Searchspaces/hybrid_space.html
@@ -1149,9 +1149,9 @@ 
Constructing the campaign and performing a recommendation
Recommended experiments with measured values: 
      x_1   x_2   x_3       x_4       x_5       x_6      Target
-22  0.00  0.00  5.12  0.787583 -3.083072 -3.973986   63.968204
-19  0.00 -5.12  5.12 -4.673685  1.502947 -0.031810  116.763351
-23  5.12  0.00  5.12  4.327169 -2.786185 -2.387538  130.049500
+2   5.12 -5.12 -5.12  2.927418 -3.230763 -0.073792  116.659180
+22  0.00  0.00  5.12 -3.156180  2.929845 -2.061036   57.840946
+25  0.00  5.12  5.12  1.128187 -2.933280  3.889018   89.123024
 

 

 
diff --git a/latest/misc/contributing_link.html b/latest/misc/contributing_link.html
index 8d7f539ca..e64caa930 100644
--- a/latest/misc/contributing_link.html
+++ b/latest/misc/contributing_link.html
@@ -1036,6 +1036,8 @@ 
General Workflow
tox -e fulltest-py312
 

 

+
Other tox tests that are useful to verify your work locally are tox -e lint-py312,
+tox -e mypy-py312 and tox -e coretest-py312.

 
If you want to challenge your machine, you can run all checks in all Python versions
 in parallel via:

 
tox -p
diff --git a/latest/output.json b/latest/output.json
index bf7521072..4cbccb11c 100644
--- a/latest/output.json
+++ b/latest/output.json
@@ -20,6 +20,11 @@
 {"filename": "_autosummary/baybe.acquisition.utils.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.acquisition.utils.convert_acqf", "info": ""}
 {"filename": "_autosummary/baybe.acquisition.utils.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.acquisition.utils.str_to_acqf", "info": ""}
 {"filename": "_autosummary/baybe.campaign.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.campaign.Campaign", "info": ""}
+{"filename": "userguide/campaigns.md", "lineno": 129, "status": "unchecked", "code": 0, "uri": "#baybe.campaign.Campaign.add_measurements", "info": ""}
+{"filename": "userguide/campaigns.md", "lineno": 44, "status": "unchecked", "code": 0, "uri": "#baybe.campaign.Campaign.from_config", "info": ""}
+{"filename": "userguide/surrogates.md", "lineno": 28, "status": "unchecked", "code": 0, "uri": "#baybe.campaign.Campaign.get_surrogate", "info": ""}
+{"filename": "_autosummary/baybe.utils.dataframe.add_fake_results.rst", "lineno": 2, "status": "unchecked", "code": 0, "uri": "#baybe.campaign.Campaign.recommend", "info": ""}
+{"filename": "userguide/campaigns.md", "lineno": 44, "status": "unchecked", "code": 0, "uri": "#baybe.campaign.Campaign.validate_config", "info": ""}
 {"filename": "_autosummary/baybe.constraints.base.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.constraints.base.CardinalityConstraint", "info": ""}
 {"filename": "_autosummary/baybe.constraints.base.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.constraints.base.Constraint", "info": ""}
 {"filename": "_autosummary/baybe.constraints.base.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.constraints.base.ContinuousConstraint", "info": ""}
@@ -87,7 +92,9 @@
 {"filename": "_autosummary/baybe.parameters.base.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.parameters.base.DiscreteParameter", "info": ""}
 {"filename": "_autosummary/baybe.campaign.Campaign.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.parameters.base.Parameter", "info": ""}
 {"filename": "_autosummary/baybe.parameters.categorical.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.parameters.categorical.CategoricalParameter", "info": ""}
+{"filename": "userguide/serialization.md", "lineno": 79, "status": "unchecked", "code": 0, "uri": "#baybe.parameters.categorical.CategoricalParameter.__init__", "info": ""}
 {"filename": "_autosummary/baybe.parameters.categorical.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.parameters.categorical.TaskParameter", "info": ""}
+{"filename": "userguide/serialization.md", "lineno": 176, "status": "unchecked", "code": 0, "uri": "#baybe.parameters.categorical.TaskParameter.__init__", "info": ""}
 {"filename": "_autosummary/baybe.parameters.custom.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.parameters.custom.CustomDiscreteParameter", "info": ""}
 {"filename": "_autosummary/baybe.parameters.categorical.CategoricalParameter.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.parameters.enum.CategoricalEncoding", "info": ""}
 {"filename": "_autosummary/baybe.parameters.custom.CustomDiscreteParameter.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.parameters.enum.CustomEncoding", "info": ""}
@@ -119,9 +126,12 @@
 {"filename": "_autosummary/baybe.recommenders.naive.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.recommenders.naive.NaiveHybridSpaceRecommender", "info": ""}
 {"filename": "_autosummary/baybe.recommenders.meta.base.MetaRecommender.rst", "lineno": 2, "status": "unchecked", "code": 0, "uri": "#baybe.recommenders.pure.base.PureRecommender", "info": ""}
 {"filename": "_autosummary/baybe.recommenders.naive.NaiveHybridSpaceRecommender.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.recommenders.pure.bayesian.base.BayesianRecommender", "info": ""}
+{"filename": "userguide/surrogates.md", "lineno": 28, "status": "unchecked", "code": 0, "uri": "#baybe.recommenders.pure.bayesian.base.BayesianRecommender.get_surrogate", "info": ""}
 {"filename": "_autosummary/baybe.recommenders.naive.NaiveHybridSpaceRecommender.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.recommenders.pure.bayesian.botorch.BotorchRecommender", "info": ""}
+{"filename": "examples/Custom_Hooks/probability_of_improvement.md", "lineno": 6, "status": "unchecked", "code": 0, "uri": "#baybe.recommenders.pure.bayesian.botorch.BotorchRecommender.recommend", "info": ""}
 {"filename": "_autosummary/baybe.recommenders.pure.bayesian.sequential_greedy.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.recommenders.pure.bayesian.sequential_greedy.SequentialGreedyRecommender", "info": ""}
 {"filename": "_autosummary/baybe.recommenders.pure.nonpredictive.base.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.recommenders.pure.nonpredictive.base.NonPredictiveRecommender", "info": ""}
+{"filename": "userguide/async.md", "lineno": 48, "status": "unchecked", "code": 0, "uri": "#baybe.recommenders.pure.nonpredictive.base.NonPredictiveRecommender.allow_recommending_pending_experiments", "info": ""}
 {"filename": "_autosummary/baybe.recommenders.pure.nonpredictive.clustering.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.recommenders.pure.nonpredictive.clustering.GaussianMixtureClusteringRecommender", "info": ""}
 {"filename": "_autosummary/baybe.recommenders.pure.nonpredictive.clustering.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.recommenders.pure.nonpredictive.clustering.KMeansClusteringRecommender", "info": ""}
 {"filename": "_autosummary/baybe.recommenders.pure.nonpredictive.clustering.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.recommenders.pure.nonpredictive.clustering.PAMClusteringRecommender", "info": ""}
@@ -129,16 +139,25 @@
 {"filename": "_autosummary/baybe.recommenders.pure.nonpredictive.sampling.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.recommenders.pure.nonpredictive.sampling.FPSRecommender", "info": ""}
 {"filename": "_autosummary/baybe.recommenders.pure.nonpredictive.sampling.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.recommenders.pure.nonpredictive.sampling.RandomRecommender", "info": ""}
 {"filename": "_autosummary/baybe.campaign.Campaign.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.continuous.SubspaceContinuous", "info": ""}
+{"filename": "userguide/searchspace.md", "lineno": 168, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.continuous.SubspaceContinuous.from_bounds", "info": ""}
 {"filename": "_autosummary/baybe.searchspace.core.SearchSpace.rst", "lineno": 3, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.continuous.SubspaceContinuous.from_dataframe", "info": ""}
 {"filename": "_autosummary/baybe.acquisition.acqfs.ExpectedImprovement.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.core.SearchSpace", "info": ""}
+{"filename": "userguide/serialization.md", "lineno": 304, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.core.SearchSpace.__init__", "info": ""}
+{"filename": "userguide/searchspace.md", "lineno": 234, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.core.SearchSpace.from_dataframe", "info": ""}
 {"filename": "_autosummary/baybe.searchspace.discrete.SubspaceDiscrete.rst", "lineno": 2, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.core.SearchSpace.from_product", "info": ""}
 {"filename": "_autosummary/baybe.searchspace.continuous.SubspaceContinuous.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.core.SearchSpace.transform", "info": ""}
 {"filename": "_autosummary/baybe.recommenders.naive.NaiveHybridSpaceRecommender.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.core.SearchSpaceType", "info": ""}
+{"filename": "userguide/searchspace.md", "lineno": 11, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.core.SearchSpaceType.CONTINUOUS", "info": ""}
+{"filename": "userguide/searchspace.md", "lineno": 11, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.core.SearchSpaceType.DISCRETE", "info": ""}
+{"filename": "userguide/searchspace.md", "lineno": 11, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.core.SearchSpaceType.HYBRID", "info": ""}
 {"filename": "_autosummary/baybe.searchspace.core.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.core.to_searchspace", "info": ""}
 {"filename": "_autosummary/baybe.searchspace.core.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.core.validate_searchspace_from_config", "info": ""}
 {"filename": "_autosummary/baybe.searchspace.core.SearchSpace.rst", "lineno": 2, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.discrete.MemorySize", "info": ""}
 {"filename": "_autosummary/baybe.campaign.Campaign.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.discrete.SubspaceDiscrete", "info": ""}
 {"filename": "_autosummary/baybe.searchspace.core.SearchSpace.rst", "lineno": 3, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.discrete.SubspaceDiscrete.from_dataframe", "info": ""}
+{"filename": "userguide/searchspace.md", "lineno": 24, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.discrete.SubspaceDiscrete.from_product", "info": ""}
+{"filename": "userguide/searchspace.md", "lineno": 84, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.discrete.SubspaceDiscrete.from_simplex", "info": ""}
+{"filename": "userguide/searchspace.md", "lineno": 159, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.discrete.SubspaceDiscrete.metadata", "info": ""}
 {"filename": "_autosummary/baybe.searchspace.discrete.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.discrete.parameter_cartesian_prod_pandas", "info": ""}
 {"filename": "_autosummary/baybe.searchspace.discrete.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.discrete.parameter_cartesian_prod_polars", "info": ""}
 {"filename": "_autosummary/baybe.searchspace.discrete.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.searchspace.discrete.validate_simplex_subspace_from_config", "info": ""}
@@ -152,6 +171,8 @@
 {"filename": "_autosummary/baybe.serialization.core.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.serialization.core.select_constructor_hook", "info": ""}
 {"filename": "_autosummary/baybe.serialization.core.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.serialization.core.unstructure_base", "info": ""}
 {"filename": "_autosummary/baybe.acquisition.base.AcquisitionFunction.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.serialization.mixin.SerialMixin", "info": ""}
+{"filename": "userguide/campaigns.md", "lineno": 164, "status": "unchecked", "code": 0, "uri": "#baybe.serialization.mixin.SerialMixin.from_json", "info": ""}
+{"filename": "userguide/campaigns.md", "lineno": 164, "status": "unchecked", "code": 0, "uri": "#baybe.serialization.mixin.SerialMixin.to_json", "info": ""}
 {"filename": "_autosummary/baybe.serialization.utils.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.serialization.utils.deserialize_dataframe", "info": ""}
 {"filename": "_autosummary/baybe.serialization.utils.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.serialization.utils.serialize_dataframe", "info": ""}
 {"filename": "_autosummary/baybe.simulation.core.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.simulation.core.simulate_experiment", "info": ""}
@@ -174,10 +195,92 @@
 {"filename": "_autosummary/baybe.surrogates.gaussian_process.presets.core.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.surrogates.gaussian_process.presets.core.make_gp_from_preset", "info": ""}
 {"filename": "_autosummary/baybe.surrogates.gaussian_process.presets.default.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.surrogates.gaussian_process.presets.default.DefaultKernelFactory", "info": ""}
 {"filename": "_autosummary/baybe.surrogates.gaussian_process.presets.default.DefaultKernelFactory.rst", "lineno": 3, "status": "unchecked", "code": 0, "uri": "#baybe.surrogates.gaussian_process.presets.edbo.EDBOKernelFactory", "info": ""}
+{"filename": "_autosummary/baybe.surrogates.linear.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.surrogates.linear.BayesianLinearSurrogate", "info": ""}
+{"filename": "_autosummary/baybe.surrogates.naive.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.surrogates.naive.MeanPredictionSurrogate", "info": ""}
+{"filename": "_autosummary/baybe.surrogates.ngboost.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.surrogates.ngboost.NGBoostSurrogate", "info": ""}
+{"filename": "_autosummary/baybe.surrogates.random_forest.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.surrogates.random_forest.RandomForestSurrogate", "info": ""}
+{"filename": "_autosummary/baybe.surrogates.utils.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.surrogates.utils.batchify_ensemble_predictor", "info": ""}
+{"filename": "_autosummary/baybe.surrogates.utils.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.surrogates.utils.batchify_mean_var_prediction", "info": ""}
+{"filename": "_autosummary/baybe.surrogates.utils.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.surrogates.utils.catch_constant_targets", "info": ""}
+{"filename": "_autosummary/baybe.surrogates.validation.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.surrogates.validation.get_model_params_validator", "info": ""}
+{"filename": "_autosummary/baybe.surrogates.validation.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.surrogates.validation.validate_custom_architecture_cls", "info": ""}
 {"filename": "_autosummary/baybe.campaign.Campaign.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.targets.base.Target", "info": ""}
+{"filename": "_autosummary/baybe.targets.binary.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.targets.binary.BinaryTarget", "info": ""}
+{"filename": "_autosummary/baybe.targets.binary.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.targets.binary.ChoiceValue", "info": ""}
+{"filename": "_autosummary/baybe.targets.enum.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.targets.enum.TargetMode", "info": ""}
+{"filename": "_autosummary/baybe.targets.enum.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.targets.enum.TargetTransformation", "info": ""}
+{"filename": "_autosummary/baybe.targets.numerical.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.targets.numerical.NumericalTarget", "info": ""}
+{"filename": "_autosummary/baybe.targets.transforms.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.targets.transforms.bell_transform", "info": ""}
+{"filename": "_autosummary/baybe.targets.transforms.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.targets.transforms.linear_transform", "info": ""}
+{"filename": "_autosummary/baybe.targets.transforms.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.targets.transforms.triangular_transform", "info": ""}
+{"filename": "_autosummary/baybe.telemetry.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.telemetry.get_user_details", "info": ""}
+{"filename": "_autosummary/baybe.telemetry.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.telemetry.is_enabled", "info": ""}
+{"filename": "_autosummary/baybe.telemetry.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.telemetry.telemetry_record_recommended_measurement_percentage", "info": ""}
+{"filename": "_autosummary/baybe.telemetry.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.telemetry.telemetry_record_value", "info": ""}
+{"filename": "_autosummary/baybe.utils.augmentation.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.utils.augmentation.df_apply_dependency_augmentation", "info": ""}
+{"filename": "_autosummary/baybe.utils.augmentation.rst", "lineno": 1, "status": "unchecked", "code": 0, "uri": "#baybe.utils.augmentation.df_apply_permutation_augmentation", "info": ""}
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"baybe.constraints.continuous.ContinuousLinearConstraint", false]], "continuouslinearequalityconstraint() (in module baybe.constraints.deprecation)": [[43, "baybe.constraints.deprecation.ContinuousLinearEqualityConstraint", false]], "continuouslinearinequalityconstraint() (in module baybe.constraints.deprecation)": [[44, "baybe.constraints.deprecation.ContinuousLinearInequalityConstraint", false]], "continuousnonlinearconstraint (class in baybe.constraints.base)": [[33, "baybe.constraints.base.ContinuousNonlinearConstraint", false]], "continuousparameter (class in baybe.parameters.base)": [[112, "baybe.parameters.base.ContinuousParameter", false]], "convert_acqf() (in module baybe.acquisition.utils)": [[24, "baybe.acquisition.utils.convert_acqf", false]], "convert_bounds() (in module baybe.utils.interval)": [[327, "baybe.utils.interval.convert_bounds", false]], "converter (in module baybe.serialization.core)": [[204, "baybe.serialization.core.converter", false]], "create() 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false]], "df_uncorrelated_features() (in module baybe.utils.dataframe)": [[320, "baybe.utils.dataframe.df_uncorrelated_features", false]], "disc_recommender (baybe.recommenders.naive.naivehybridspacerecommender attribute)": [[160, "baybe.recommenders.naive.NaiveHybridSpaceRecommender.disc_recommender", false]], "discrete (baybe.searchspace.core.searchspace attribute)": [[186, "baybe.searchspace.core.SearchSpace.discrete", false]], "discrete (baybe.searchspace.core.searchspacetype attribute)": [[187, "baybe.searchspace.core.SearchSpaceType.DISCRETE", false]], "discretecardinalityconstraint (class in baybe.constraints.discrete)": [[47, "baybe.constraints.discrete.DiscreteCardinalityConstraint", false]], "discreteconstraint (class in baybe.constraints.base)": [[34, "baybe.constraints.base.DiscreteConstraint", false]], "discretecustomconstraint (class in baybe.constraints.discrete)": [[48, "baybe.constraints.discrete.DiscreteCustomConstraint", false]], "discretedependenciesconstraint 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264, 266, 272, 277, 296, 321, 326, 339, 350, 360, 361, 362, 363, 364, 365, 366, 368, 369, 375, 380, 381, 382, 387, 389, 392, 394, 400, 401, 403, 406, 408, 409, 410, 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, 421, 422], "If": [6, 13, 27, 34, 47, 48, 49, 50, 51, 52, 53, 54, 55, 57, 58, 105, 132, 136, 137, 156, 157, 160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 184, 186, 192, 197, 198, 199, 215, 217, 219, 221, 224, 226, 227, 230, 234, 248, 250, 252, 254, 275, 280, 285, 290, 291, 294, 296, 299, 301, 309, 310, 311, 313, 316, 317, 320, 321, 339, 341, 347, 348, 369, 371, 381, 393, 394, 397, 403, 404, 405, 406, 408, 409, 410, 411, 412, 413, 414, 415, 420, 421, 422], "In": [27, 41, 53, 154, 156, 157, 158, 168, 186, 213, 215, 294, 322, 361, 362, 363, 365, 366, 368, 381, 382, 384, 387, 389, 392, 393, 394, 397, 403, 404, 406, 408, 409, 410, 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, 421, 422], "It": [22, 151, 160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 213, 229, 250, 316, 362, 366, 368, 369, 375, 385, 387, 389, 392, 393, 394, 396, 397, 398, 400, 403, 410, 411, 412, 413, 415, 416, 417, 419], "Its": [217, 384], "No": [377, 405], "Not": [408, 412], "OF": [403, 408], "OR": [403, 408], "Of": [369, 379, 402, 418], "On": [384, 387], "One": [121, 362, 365, 403], "Or": 413, "Such": [369, 412, 419], "That": [186, 217, 224, 226, 227, 230, 234, 248, 250, 252, 254, 275, 361, 369, 374, 392, 406, 417, 419, 422], "The": [3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 20, 22, 27, 30, 31, 32, 33, 34, 36, 37, 38, 40, 41, 47, 48, 49, 50, 51, 52, 53, 54, 55, 61, 77, 79, 80, 81, 83, 84, 85, 86, 87, 88, 89, 90, 92, 93, 94, 99, 104, 105, 109, 112, 113, 114, 116, 117, 119, 126, 127, 130, 132, 138, 140, 142, 143, 144, 145, 146, 147, 148, 151, 154, 156, 157, 158, 160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 184, 186, 191, 192, 197, 204, 205, 207, 209, 213, 215, 217, 219, 224, 226, 227, 228, 230, 234, 237, 248, 250, 252, 254, 256, 258, 260, 261, 264, 266, 269, 272, 274, 275, 276, 278, 280, 281, 284, 285, 288, 290, 291, 292, 294, 296, 299, 300, 301, 303, 313, 316, 317, 318, 319, 320, 321, 322, 323, 326, 327, 330, 335, 336, 337, 339, 341, 343, 344, 347, 348, 361, 362, 363, 364, 365, 366, 369, 374, 375, 376, 377, 378, 380, 381, 382, 384, 385, 389, 392, 393, 394, 398, 400, 401, 404, 405, 406, 408, 411, 412, 413, 414, 415, 416, 417, 420, 421, 423], "Their": 369, "Then": 382, "There": [71, 258, 333, 403, 404, 406, 410, 417], "These": [278, 359, 361, 363, 364, 365, 366, 367, 370, 373, 379, 383, 386, 388, 390, 392, 395, 399, 406, 410, 412, 413, 415, 417], "To": [361, 362, 369, 381, 382, 387, 396, 400, 401, 403, 404, 406, 410, 411, 413, 415, 419], "Will": 409, "With": [316, 381, 382, 387, 400, 401, 403, 410, 412, 415, 418], "_": [136, 137, 189, 195, 202, 339, 381, 401], "________________________________________________________________________________": [363, 377, 385, 397], "_______________________________________smiles_to_mordred_featur": [363, 377, 385, 397], "__class__": [380, 387], "__excepthook__": 404, "__init__": [3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 20, 22, 27, 30, 31, 32, 33, 34, 37, 38, 40, 41, 47, 48, 49, 50, 51, 52, 53, 54, 55, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 79, 80, 81, 83, 84, 85, 86, 87, 88, 89, 90, 92, 93, 94, 99, 104, 109, 112, 113, 114, 116, 117, 119, 126, 127, 130, 140, 142, 143, 144, 145, 146, 147, 148, 151, 154, 156, 157, 158, 160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 184, 186, 191, 192, 224, 226, 227, 228, 230, 234, 236, 237, 244, 246, 248, 250, 252, 254, 264, 266, 272, 287, 288, 325, 326, 350, 417, 418], "__name__": [380, 387], "__new__": [60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 121, 122, 124, 325], "__str__": 405, "__version__": 405, "_c": 291, "_cumbest": 215, "_default_my_attribut": 406, "_fit": 261, "_iterbest": 215, "_measur": 215, "_n_last_measur": 156, "_nbase": [308, 310, 311], "_nestedsequ": [105, 274, 275, 276, 336], "_no_tl": 400, "_option": 405, "_posterior": 261, "_smiles_to_mordred_featur": [363, 377, 385, 397], "_step": 156, "_supportsarrai": [105, 274, 275, 276, 336], "_surrogate_model": [381, 382], "_t": [3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 20, 27, 30, 31, 32, 33, 34, 36, 37, 38, 40, 41, 47, 48, 49, 50, 51, 52, 53, 54, 55, 79, 80, 81, 83, 84, 85, 86, 87, 88, 89, 90, 92, 93, 94, 99, 104, 109, 112, 113, 114, 116, 117, 119, 126, 127, 130, 140, 142, 143, 144, 145, 146, 147, 148, 154, 156, 157, 158, 184, 186, 192, 197, 205, 206, 209, 224, 226, 227, 230, 234, 237, 248, 250, 252, 254, 264, 266, 272, 292, 293, 314, 326], "_target": 405, "_tparamet": 132, "_tsurrog": 257, "_u": 292, "_validate_my_attribut": 406, "a1": 285, "a2": 285, "ab": [377, 378], "abbrevi": [3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 20, 289, 295, 405, 423], "abc": [20, 30, 31, 32, 33, 34, 36, 79, 80, 81, 99, 113, 114, 140, 154, 163, 166, 173, 178, 226, 227, 264, 300], "abil": [409, 422], "abl": [382, 410, 412, 415, 418], "about": [22, 27, 114, 130, 264, 281, 362, 363, 365, 391, 392, 393, 394, 403, 405, 406, 415, 417], "abov": [258, 276, 300, 320, 369, 376, 378, 380, 381, 403, 406, 408, 409, 410, 411, 412, 413, 415, 418, 422], "absenc": 414, "absolut": [127, 317, 403], "abstract": [20, 30, 31, 32, 33, 34, 36, 79, 80, 81, 99, 112, 113, 114, 140, 154, 163, 166, 173, 227, 264, 290, 291, 300, 405, 412, 422], "abstractli": 387, "acceler": [403, 405, 407, 422], "accept": [27, 156, 234, 303, 321, 381, 382, 392, 405, 408, 414, 415, 419, 421], "access": [184, 192, 224, 226, 227, 230, 234, 248, 250, 252, 254, 362, 363, 365, 374, 380, 401, 405, 412, 418], "accord": [40, 152, 306, 409, 412, 413, 416], "accordingli": [168, 411, 418], "account": 410, "accumul": [142, 387, 422], "accur": 411, "acet": [362, 363, 365, 368, 369], "achiev": [17, 192, 382, 387, 403, 406, 409, 411, 412], "ack": 403, "acq_funct": 369, "acqf": [3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 24, 25, 381, 382, 387], "acqf1": 418, "acqf2": 418, "acqf_valu": 381, "acquisit": [3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 20, 22, 63, 68, 166, 168, 374, 375, 376, 377, 378, 381, 382, 387, 389, 396, 403, 405, 409, 416, 418, 420], "acquisition_funct": [166, 168, 361, 369, 387, 397, 398, 405], "acquisition_function_cl": [166, 168, 405], "acquisitionfunct": [3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 18, 22, 24, 25, 166, 168, 387, 418], "across": [387, 400, 410, 416, 422], "act": [405, 408, 412], "action": [17, 380, 387, 405, 423], "activ": [13, 30, 117, 158, 381, 382, 387, 403, 405, 406, 412, 413, 414, 416, 422, 423], "active_dim": [79, 80, 81, 84, 86, 88, 89, 90], "active_valu": [117, 400, 401, 422], "actual": [156, 186, 213, 364, 377, 392, 393, 405, 417, 419, 422], "ad": [27, 192, 280, 284, 316, 347, 406, 409, 413, 414, 415, 420, 421, 423], "adapt": [246, 301, 320], "add": [27, 207, 217, 316, 369, 384, 385, 389, 391, 392, 393, 394, 400, 403, 408, 410, 411, 412, 417, 422], "add_collection3d": 382, "add_fake_result": [368, 369, 374, 375, 376, 377, 378, 384, 385, 389, 405], "add_measur": [27, 368, 369, 371, 372, 374, 375, 376, 377, 378, 382, 384, 385, 387, 389, 391, 392, 393, 394, 403, 405, 410, 411, 413], "add_subplot": 382, "addendum": 408, "addit": [27, 99, 104, 109, 156, 168, 186, 207, 215, 217, 219, 317, 361, 362, 363, 364, 365, 366, 369, 391, 392, 393, 394, 401, 403, 405, 407, 408, 411, 412, 413, 414, 415, 417, 418, 419, 422], "addition": [380, 403], "additivekernel": 405, "adher": [405, 406], "adjust": [361, 363, 369, 393, 405], "adopt": 369, "adrian": [403, 407], "advanc": [387, 405, 413, 418, 422, 423], "advantag": 406, "advic": 406, "advis": [408, 417, 419], "affect": [49, 284, 380, 396, 404, 412], "affected_paramet": [49, 374, 375, 376, 377, 378, 412], "affili": [403, 413], "afford": 411, "aforement": 186, "after": [158, 192, 296, 368, 369, 374, 375, 376, 377, 378, 382, 389, 396, 403, 411, 418], "afterward": 418, "again": [381, 410, 412, 416, 422], "against": [75, 280, 294, 408, 422], "agraw": 407, "agre": [364, 403, 408], "agreement": 408, "ai": [77, 138, 333], "aim": 411, "akin": 410, "al": [363, 403, 415], "aldrich": 407, "alex": 407, "alexand": [403, 407], "algorithm": [161, 168, 316, 345, 347, 389, 403, 405, 410, 416], "alia": [129, 170], "alias": 405, "align": [184, 296, 381, 417, 422], "all": [19, 20, 29, 31, 36, 49, 51, 78, 79, 80, 81, 98, 99, 104, 109, 111, 114, 117, 119, 123, 130, 139, 140, 150, 153, 154, 156, 162, 163, 165, 168, 172, 173, 186, 193, 194, 217, 224, 225, 227, 263, 264, 284, 294, 316, 362, 363, 365, 369, 371, 372, 374, 375, 380, 381, 382, 387, 389, 391, 393, 400, 401, 403, 405, 406, 408, 410, 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, 421, 422], "allclos": [371, 372], "alleg": 408, "allow": [17, 30, 40, 47, 51, 127, 132, 160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 186, 192, 219, 281, 299, 321, 362, 363, 365, 369, 400, 401, 403, 405, 409, 411, 412, 413, 414, 416, 417, 418, 419, 420, 421], "allow_extra": [184, 186, 192, 197, 405], "allow_miss": [184, 186, 192, 197, 405], "allow_recommending_already_measur": [160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 192, 369, 381, 387, 397, 398, 405, 416], "allow_recommending_pending_experi": [160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 405, 410, 416], "allow_repeated_recommend": [160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 192, 369, 381, 387, 397, 398, 405, 416], "almost": 363, "alon": [405, 408], "along": [337, 408, 415, 422], "alongsid": 408, "alpha": [142, 382], "alphabet": [133, 405], "alreadi": [27, 160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 192, 369, 394, 403, 405, 409, 410, 416, 417, 420, 422], "also": [53, 132, 224, 226, 227, 230, 234, 248, 250, 252, 254, 281, 294, 296, 361, 362, 371, 372, 377, 381, 382, 384, 385, 389, 391, 393, 394, 396, 400, 401, 403, 405, 406, 409, 411, 412, 413, 414, 415, 417, 418, 419, 420, 421, 422], "alter": [405, 411], "altern": [3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 20, 258, 337, 380, 403, 405, 423], "although": [394, 397, 417, 419], "alwai": [13, 27, 36, 202, 203, 384, 403, 409, 411, 412, 419, 420, 422], "ambigu": [127, 417], "amend": 412, "among": [30, 403, 422], "amount": [285, 340, 348, 392, 400, 401, 410, 415], "an": [3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 20, 24, 25, 27, 30, 31, 32, 33, 34, 36, 37, 38, 40, 41, 47, 48, 49, 50, 51, 52, 53, 54, 55, 57, 58, 63, 65, 68, 73, 75, 76, 79, 80, 81, 83, 84, 85, 86, 87, 88, 89, 90, 92, 93, 94, 99, 100, 102, 104, 109, 112, 113, 114, 116, 117, 119, 126, 127, 130, 132, 140, 142, 143, 144, 145, 146, 147, 148, 151, 154, 156, 157, 158, 160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 184, 186, 192, 205, 207, 209, 213, 215, 217, 219, 224, 226, 227, 230, 231, 234, 237, 248, 250, 252, 254, 256, 257, 264, 266, 272, 284, 293, 294, 296, 299, 307, 314, 320, 321, 322, 325, 326, 327, 336, 339, 341, 347, 348, 362, 365, 367, 369, 376, 377, 378, 380, 381, 384, 385, 389, 391, 392, 393, 394, 396, 397, 403, 405, 406, 407, 408, 409, 410, 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, 421, 422], "analog": [186, 316, 417, 418], "analogi": [152, 416], "analysi": 420, "analyt": [3, 4, 7, 8, 68, 359, 392, 402, 419, 422], "analyz": 406, "angl": 382, "ani": [57, 58, 105, 112, 113, 114, 116, 117, 119, 130, 132, 135, 136, 137, 186, 192, 202, 203, 207, 211, 212, 219, 248, 252, 254, 274, 275, 276, 281, 284, 294, 296, 297, 299, 300, 321, 326, 328, 336, 341, 355, 356, 357, 358, 380, 400, 401, 403, 404, 405, 406, 408, 410, 411, 413, 415, 418, 419, 422], "annot": [296, 380, 408], "anonym": [403, 413], "anoth": [49, 327, 363, 375, 376, 384, 385, 394, 406, 412, 422], "ansatz": 405, "answer": 411, "anymor": 422, "anyth": 301, "anywai": 420, "anywher": 371, "apach": [403, 408], "apart": [406, 411], "api": [41, 303, 403, 404, 418], "appar": 418, "appdata": 404, "appear": [294, 404, 405, 408, 418], "append": [371, 372, 382, 391, 392, 393, 394, 401], "appendix": 408, "appli": [27, 36, 37, 38, 53, 168, 186, 213, 215, 294, 307, 317, 350, 369, 370, 373, 374, 376, 377, 378, 380, 381, 382, 400, 401, 404, 405, 408, 412, 414, 416, 417, 418, 419, 420, 421, 422], "applic": [341, 403, 406, 408, 415, 416, 419], "approach": [192, 381, 387, 403, 409, 411, 416, 418, 422], "appropri": [43, 44, 96, 192, 387, 406, 408], "approxim": [10, 17], "ar": [6, 12, 14, 27, 30, 34, 36, 37, 47, 48, 49, 50, 51, 52, 53, 54, 55, 57, 62, 69, 70, 71, 104, 105, 117, 130, 132, 137, 151, 156, 157, 158, 160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 184, 186, 192, 197, 215, 217, 219, 221, 224, 226, 227, 230, 234, 248, 250, 252, 254, 276, 278, 280, 281, 284, 285, 290, 291, 292, 294, 296, 300, 301, 316, 318, 321, 339, 347, 361, 363, 364, 365, 366, 368, 369, 371, 372, 374, 375, 376, 377, 378, 380, 381, 382, 385, 387, 389, 391, 393, 396, 397, 400, 401, 403, 404, 405, 406, 408, 409, 410, 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, 421, 422], "arang": [371, 382, 415], "arbitrari": [157, 186, 328, 392, 405, 412, 415, 416, 419, 422], "arbitrarili": [414, 418], "architectur": [261, 405, 420, 422], "ard_num_dim": [79, 80, 81, 84, 86, 88, 89, 90], "area": 382, "arg": [60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 83, 85, 87, 92, 93, 94, 140, 142, 143, 144, 145, 146, 147, 148, 151, 170, 228, 231, 236, 325, 406], "argument": [76, 77, 132, 138, 154, 156, 157, 158, 184, 192, 228, 296, 369, 385, 389, 405, 412, 417, 418, 419, 422], "aris": [52, 408, 412, 418], "arithmet": [107, 414], "arizona": 407, "arm": [223, 224, 402, 407], "arm_index": 387, "around": [177, 219, 221, 389, 405, 416, 418], "arr": [274, 275, 276, 337], "arrai": [105, 274, 275, 276, 287, 323, 332, 336, 337, 347, 382, 405, 416, 420], "arriv": 403, "aryl": [362, 363, 365, 368, 403, 415], "ascend": 389, "ask": [403, 405, 406, 411], "aspect": [367, 371, 372, 391, 394, 410, 413], "assembl": 418, "assembli": 423, "assert": [58, 374, 375, 376, 377, 378, 384, 385, 396, 405, 408, 411, 412, 418], "assess": 419, "assign": [316, 381, 415], "associ": [186, 387, 408, 411, 413, 414, 422], "assum": [22, 41, 229, 296, 360, 361, 362, 363, 364, 365, 366, 369, 371, 372, 374, 375, 376, 377, 378, 384, 385, 387, 389, 391, 392, 393, 394, 396, 403, 408, 412, 415, 418, 420, 421], "assumpt": 419, "assur": 412, "asynchron": [403, 416, 423], "atol": [371, 372], "attach": [22, 296, 380, 381, 382, 408], "attempt": [67, 73, 229, 339, 387, 404, 405, 410, 412, 416], "attent": 158, "attr": [3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 20, 22, 27, 30, 31, 32, 33, 34, 37, 38, 40, 41, 47, 48, 49, 50, 51, 52, 53, 54, 55, 79, 80, 81, 83, 84, 85, 86, 87, 88, 89, 90, 92, 93, 94, 99, 104, 109, 112, 113, 114, 116, 117, 119, 126, 127, 130, 140, 142, 143, 144, 145, 146, 147, 148, 154, 156, 157, 158, 160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 184, 186, 191, 192, 224, 226, 227, 230, 234, 237, 244, 246, 248, 250, 252, 254, 264, 266, 272, 294, 297, 326, 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\ No newline at end of file
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215, 217, 219, 221, 224, 226, 227, 230, 234, 236, 237, 244, 246, 248, 250, 252, 254, 260, 264, 266, 272, 274, 275, 276, 284, 288, 290, 291, 292, 294, 302, 303, 316, 320, 330, 337, 345, 347, 350, 375, 385, 387, 389, 397, 398, 404, 405, 406, 408, 412, 415, 416, 417, 418, 419, 421, 422], "AND": [50, 376, 408, 412], "AS": [403, 408], "And": 384, "As": [361, 362, 363, 365, 382, 387, 389, 400, 401, 403, 405, 412, 416, 417, 419], "At": 421, "But": 421, "By": [104, 117, 132, 192, 300, 406, 413, 416, 417], "FOR": 408, "For": [3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 20, 22, 27, 30, 31, 32, 33, 34, 37, 38, 40, 41, 47, 48, 49, 50, 51, 52, 53, 54, 55, 77, 79, 80, 81, 83, 84, 85, 86, 87, 88, 89, 90, 92, 93, 94, 99, 104, 109, 112, 113, 114, 116, 117, 119, 126, 127, 130, 138, 140, 142, 143, 144, 145, 146, 147, 148, 154, 156, 157, 158, 160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 184, 186, 191, 192, 215, 221, 224, 226, 227, 228, 230, 234, 237, 244, 246, 248, 250, 252, 254, 264, 266, 272, 277, 296, 321, 326, 339, 350, 360, 361, 362, 363, 364, 365, 366, 368, 369, 375, 380, 381, 382, 387, 389, 392, 394, 400, 401, 403, 406, 408, 409, 410, 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, 421, 422], "If": [6, 13, 27, 34, 47, 48, 49, 50, 51, 52, 53, 54, 55, 57, 58, 105, 132, 136, 137, 156, 157, 160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 184, 186, 192, 197, 198, 199, 215, 217, 219, 221, 224, 226, 227, 230, 234, 248, 250, 252, 254, 275, 280, 285, 290, 291, 294, 296, 299, 301, 309, 310, 311, 313, 316, 317, 320, 321, 339, 341, 347, 348, 369, 371, 381, 393, 394, 397, 403, 404, 405, 406, 408, 409, 410, 411, 412, 413, 414, 415, 420, 421, 422], "In": [27, 41, 53, 154, 156, 157, 158, 168, 186, 213, 215, 294, 322, 361, 362, 363, 365, 366, 368, 381, 382, 384, 387, 389, 392, 393, 394, 397, 403, 404, 406, 408, 409, 410, 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, 421, 422], "It": [22, 151, 160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 213, 229, 250, 316, 362, 366, 368, 369, 375, 385, 387, 389, 392, 393, 394, 396, 397, 398, 400, 403, 410, 411, 412, 413, 415, 416, 417, 419], "Its": [217, 384], "No": [377, 405], "Not": [408, 412], "OF": [403, 408], "OR": [403, 408], "Of": [369, 379, 402, 418], "On": [384, 387], "One": [121, 362, 365, 403], "Or": 413, "Such": [369, 412, 419], "That": [186, 217, 224, 226, 227, 230, 234, 248, 250, 252, 254, 275, 361, 369, 374, 392, 406, 417, 419, 422], "The": [3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 20, 22, 27, 30, 31, 32, 33, 34, 36, 37, 38, 40, 41, 47, 48, 49, 50, 51, 52, 53, 54, 55, 61, 77, 79, 80, 81, 83, 84, 85, 86, 87, 88, 89, 90, 92, 93, 94, 99, 104, 105, 109, 112, 113, 114, 116, 117, 119, 126, 127, 130, 132, 138, 140, 142, 143, 144, 145, 146, 147, 148, 151, 154, 156, 157, 158, 160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 184, 186, 191, 192, 197, 204, 205, 207, 209, 213, 215, 217, 219, 224, 226, 227, 228, 230, 234, 237, 248, 250, 252, 254, 256, 258, 260, 261, 264, 266, 269, 272, 274, 275, 276, 278, 280, 281, 284, 285, 288, 290, 291, 292, 294, 296, 299, 300, 301, 303, 313, 316, 317, 318, 319, 320, 321, 322, 323, 326, 327, 330, 335, 336, 337, 339, 341, 343, 344, 347, 348, 361, 362, 363, 364, 365, 366, 369, 374, 375, 376, 377, 378, 380, 381, 382, 384, 385, 389, 392, 393, 394, 398, 400, 401, 404, 405, 406, 408, 411, 412, 413, 414, 415, 416, 417, 420, 421, 423], "Their": 369, "Then": 382, "There": [71, 258, 333, 403, 404, 406, 410, 417], "These": [278, 359, 361, 363, 364, 365, 366, 367, 370, 373, 379, 383, 386, 388, 390, 392, 395, 399, 406, 410, 412, 413, 415, 417], "To": [361, 362, 369, 381, 382, 387, 396, 400, 401, 403, 404, 406, 410, 411, 413, 415, 419], "Will": 409, "With": [316, 381, 382, 387, 400, 401, 403, 410, 412, 415, 418], "_": [136, 137, 189, 195, 202, 339, 381, 401], "________________________________________________________________________________": [363, 377, 385, 397], "_______________________________________smiles_to_mordred_featur": [363, 377, 385, 397], "__class__": [380, 387], "__excepthook__": 404, "__init__": [3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 20, 22, 27, 30, 31, 32, 33, 34, 37, 38, 40, 41, 47, 48, 49, 50, 51, 52, 53, 54, 55, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 79, 80, 81, 83, 84, 85, 86, 87, 88, 89, 90, 92, 93, 94, 99, 104, 109, 112, 113, 114, 116, 117, 119, 126, 127, 130, 140, 142, 143, 144, 145, 146, 147, 148, 151, 154, 156, 157, 158, 160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 184, 186, 191, 192, 224, 226, 227, 228, 230, 234, 236, 237, 244, 246, 248, 250, 252, 254, 264, 266, 272, 287, 288, 325, 326, 350, 417, 418], "__name__": [380, 387], "__new__": [60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 121, 122, 124, 325], "__str__": 405, "__version__": 405, "_c": 291, "_cumbest": 215, "_default_my_attribut": 406, "_fit": 261, "_iterbest": 215, "_measur": 215, "_n_last_measur": 156, "_nbase": [308, 310, 311], "_nestedsequ": [105, 274, 275, 276, 336], "_no_tl": 400, "_option": 405, "_posterior": 261, "_smiles_to_mordred_featur": [363, 377, 385, 397], "_step": 156, "_supportsarrai": [105, 274, 275, 276, 336], "_surrogate_model": [381, 382], "_t": [3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 20, 27, 30, 31, 32, 33, 34, 36, 37, 38, 40, 41, 47, 48, 49, 50, 51, 52, 53, 54, 55, 79, 80, 81, 83, 84, 85, 86, 87, 88, 89, 90, 92, 93, 94, 99, 104, 109, 112, 113, 114, 116, 117, 119, 126, 127, 130, 140, 142, 143, 144, 145, 146, 147, 148, 154, 156, 157, 158, 184, 186, 192, 197, 205, 206, 209, 224, 226, 227, 230, 234, 237, 248, 250, 252, 254, 264, 266, 272, 292, 293, 314, 326], "_target": 405, "_tparamet": 132, "_tsurrog": 257, "_u": 292, "_validate_my_attribut": 406, "a1": 285, "a2": 285, "ab": [377, 378], "abbrevi": [3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 20, 289, 295, 405, 423], "abc": [20, 30, 31, 32, 33, 34, 36, 79, 80, 81, 99, 113, 114, 140, 154, 163, 166, 173, 178, 226, 227, 264, 300], "abil": [409, 422], "abl": [382, 410, 412, 415, 418], "about": [22, 27, 114, 130, 264, 281, 362, 363, 365, 391, 392, 393, 394, 403, 405, 406, 415, 417], "abov": [258, 276, 300, 320, 369, 376, 378, 380, 381, 403, 406, 408, 409, 410, 411, 412, 413, 415, 418, 422], "absenc": 414, "absolut": [127, 317, 403], "abstract": [20, 30, 31, 32, 33, 34, 36, 79, 80, 81, 99, 112, 113, 114, 140, 154, 163, 166, 173, 227, 264, 290, 291, 300, 405, 412, 422], "abstractli": 387, "acceler": [403, 405, 407, 422], "accept": [27, 156, 234, 303, 321, 381, 382, 392, 405, 408, 414, 415, 419, 421], "access": [184, 192, 224, 226, 227, 230, 234, 248, 250, 252, 254, 362, 363, 365, 374, 380, 401, 405, 412, 418], "accord": [40, 152, 306, 409, 412, 413, 416], "accordingli": [168, 411, 418], "account": 410, "accumul": [142, 387, 422], "accur": 411, "acet": [362, 363, 365, 368, 369], "achiev": [17, 192, 382, 387, 403, 406, 409, 411, 412], "ack": 403, "acq_funct": 369, "acqf": [3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 24, 25, 381, 382, 387], "acqf1": 418, "acqf2": 418, "acqf_valu": 381, "acquisit": [3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 20, 22, 63, 68, 166, 168, 374, 375, 376, 377, 378, 381, 382, 387, 389, 396, 403, 405, 409, 416, 418, 420], "acquisition_funct": [166, 168, 361, 369, 387, 397, 398, 405], "acquisition_function_cl": [166, 168, 405], "acquisitionfunct": [3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 18, 22, 24, 25, 166, 168, 387, 418], "across": [387, 400, 410, 416, 422], "act": [405, 408, 412], "action": [17, 380, 387, 405, 423], "activ": [13, 30, 117, 158, 381, 382, 387, 403, 405, 406, 412, 413, 414, 416, 422, 423], "active_dim": [79, 80, 81, 84, 86, 88, 89, 90], "active_valu": [117, 400, 401, 422], "actual": [156, 186, 213, 364, 377, 392, 393, 405, 417, 419, 422], "ad": [27, 192, 280, 284, 316, 347, 406, 409, 413, 414, 415, 420, 421, 423], "adapt": [246, 301, 320], "add": [27, 207, 217, 316, 369, 384, 385, 389, 391, 392, 393, 394, 400, 403, 408, 410, 411, 412, 417, 422], "add_collection3d": 382, "add_fake_result": [368, 369, 374, 375, 376, 377, 378, 384, 385, 389, 405], "add_measur": [27, 368, 369, 371, 372, 374, 375, 376, 377, 378, 382, 384, 385, 387, 389, 391, 392, 393, 394, 403, 405, 410, 411, 413], "add_subplot": 382, "addendum": 408, "addit": [27, 99, 104, 109, 156, 168, 186, 207, 215, 217, 219, 317, 361, 362, 363, 364, 365, 366, 369, 391, 392, 393, 394, 401, 403, 405, 407, 408, 411, 412, 413, 414, 415, 417, 418, 419, 422], "addition": [380, 403], "additivekernel": 405, "adher": [405, 406], "adjust": [361, 363, 369, 393, 405], "adopt": 369, "adrian": [403, 407], "advanc": [387, 405, 413, 418, 422, 423], "advantag": 406, "advic": 406, "advis": [408, 417, 419], "affect": [49, 284, 380, 396, 404, 412], "affected_paramet": [49, 374, 375, 376, 377, 378, 412], "affili": [403, 413], "afford": 411, "aforement": 186, "after": [158, 192, 296, 368, 369, 374, 375, 376, 377, 378, 382, 389, 396, 403, 411, 418], "afterward": 418, "again": [381, 410, 412, 416, 422], "against": [75, 280, 294, 408, 422], "agraw": 407, "agre": [364, 403, 408], "agreement": 408, "ai": [77, 138, 333], "aim": 411, "akin": 410, "al": [363, 403, 415], "aldrich": 407, "alex": 407, "alexand": [403, 407], "algorithm": [161, 168, 316, 345, 347, 389, 403, 405, 410, 416], "alia": [129, 170], "alias": 405, "align": [184, 296, 381, 417, 422], "all": [19, 20, 29, 31, 36, 49, 51, 78, 79, 80, 81, 98, 99, 104, 109, 111, 114, 117, 119, 123, 130, 139, 140, 150, 153, 154, 156, 162, 163, 165, 168, 172, 173, 186, 193, 194, 217, 224, 225, 227, 263, 264, 284, 294, 316, 362, 363, 365, 369, 371, 372, 374, 375, 380, 381, 382, 387, 389, 391, 393, 400, 401, 403, 405, 406, 408, 410, 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, 421, 422], "allclos": [371, 372], "alleg": 408, "allow": [17, 30, 40, 47, 51, 127, 132, 160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 186, 192, 219, 281, 299, 321, 362, 363, 365, 369, 400, 401, 403, 405, 409, 411, 412, 413, 414, 416, 417, 418, 419, 420, 421], "allow_extra": [184, 186, 192, 197, 405], "allow_miss": [184, 186, 192, 197, 405], "allow_recommending_already_measur": [160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 192, 369, 381, 387, 397, 398, 405, 416], "allow_recommending_pending_experi": [160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 405, 410, 416], "allow_repeated_recommend": [160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 192, 369, 381, 387, 397, 398, 405, 416], "almost": 363, "alon": [405, 408], "along": [337, 408, 415, 422], "alongsid": 408, "alpha": [142, 382], "alphabet": [133, 405], "alreadi": [27, 160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 192, 369, 394, 403, 405, 409, 410, 416, 417, 420, 422], "also": [53, 132, 224, 226, 227, 230, 234, 248, 250, 252, 254, 281, 294, 296, 361, 362, 371, 372, 377, 381, 382, 384, 385, 389, 391, 393, 394, 396, 400, 401, 403, 405, 406, 409, 411, 412, 413, 414, 415, 417, 418, 419, 420, 421, 422], "alter": [405, 411], "altern": [3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 20, 258, 337, 380, 403, 405, 423], "although": [394, 397, 417, 419], "alwai": [13, 27, 36, 202, 203, 384, 403, 409, 411, 412, 419, 420, 422], "ambigu": [127, 417], "amend": 412, "among": [30, 403, 422], "amount": [285, 340, 348, 392, 400, 401, 410, 415], "an": [3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 20, 24, 25, 27, 30, 31, 32, 33, 34, 36, 37, 38, 40, 41, 47, 48, 49, 50, 51, 52, 53, 54, 55, 57, 58, 63, 65, 68, 73, 75, 76, 79, 80, 81, 83, 84, 85, 86, 87, 88, 89, 90, 92, 93, 94, 99, 100, 102, 104, 109, 112, 113, 114, 116, 117, 119, 126, 127, 130, 132, 140, 142, 143, 144, 145, 146, 147, 148, 151, 154, 156, 157, 158, 160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 184, 186, 192, 205, 207, 209, 213, 215, 217, 219, 224, 226, 227, 230, 231, 234, 237, 248, 250, 252, 254, 256, 257, 264, 266, 272, 284, 293, 294, 296, 299, 307, 314, 320, 321, 322, 325, 326, 327, 336, 339, 341, 347, 348, 362, 365, 367, 369, 376, 377, 378, 380, 381, 384, 385, 389, 391, 392, 393, 394, 396, 397, 403, 405, 406, 407, 408, 409, 410, 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, 421, 422], "analog": [186, 316, 417, 418], "analogi": [152, 416], "analysi": 420, "analyt": [3, 4, 7, 8, 68, 359, 392, 402, 419, 422], "analyz": 406, "angl": 382, "ani": [57, 58, 105, 112, 113, 114, 116, 117, 119, 130, 132, 135, 136, 137, 186, 192, 202, 203, 207, 211, 212, 219, 248, 252, 254, 274, 275, 276, 281, 284, 294, 296, 297, 299, 300, 321, 326, 328, 336, 341, 355, 356, 357, 358, 380, 400, 401, 403, 404, 405, 406, 408, 410, 411, 413, 415, 418, 419, 422], "annot": [296, 380, 408], "anonym": [403, 413], "anoth": [49, 327, 363, 375, 376, 384, 385, 394, 406, 412, 422], "ansatz": 405, "answer": 411, "anymor": 422, "anyth": 301, "anywai": 420, "anywher": 371, "apach": [403, 408], "apart": [406, 411], "api": [41, 303, 403, 404, 418], "appar": 418, "appdata": 404, "appear": [294, 404, 405, 408, 418], "append": [371, 372, 382, 391, 392, 393, 394, 401], "appendix": 408, "appli": [27, 36, 37, 38, 53, 168, 186, 213, 215, 294, 307, 317, 350, 369, 370, 373, 374, 376, 377, 378, 380, 381, 382, 400, 401, 404, 405, 408, 412, 414, 416, 417, 418, 419, 420, 421, 422], "applic": [341, 403, 406, 408, 415, 416, 419], "approach": [192, 381, 387, 403, 409, 411, 416, 418, 422], "appropri": [43, 44, 96, 192, 387, 406, 408], "approxim": [10, 17], "ar": [6, 12, 14, 27, 30, 34, 36, 37, 47, 48, 49, 50, 51, 52, 53, 54, 55, 57, 62, 69, 70, 71, 104, 105, 117, 130, 132, 137, 151, 156, 157, 158, 160, 163, 166, 168, 173, 175, 176, 177, 178, 180, 181, 184, 186, 192, 197, 215, 217, 219, 221, 224, 226, 227, 230, 234, 248, 250, 252, 254, 276, 278, 280, 281, 284, 285, 290, 291, 292, 294, 296, 300, 301, 316, 318, 321, 339, 347, 361, 363, 364, 365, 366, 368, 369, 371, 372, 374, 375, 376, 377, 378, 380, 381, 382, 385, 387, 389, 391, 393, 396, 397, 400, 401, 403, 404, 405, 406, 408, 409, 410, 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, 421, 422], "arang": [371, 382, 415], "arbitrari": [157, 186, 328, 392, 405, 412, 415, 416, 419, 422], "arbitrarili": [414, 418], "architectur": [261, 405, 420, 422], "ard_num_dim": [79, 80, 81, 84, 86, 88, 89, 90], "area": 382, "arg": [60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 83, 85, 87, 92, 93, 94, 140, 142, 143, 144, 145, 146, 147, 148, 151, 170, 228, 231, 236, 325, 406], "argument": [76, 77, 132, 138, 154, 156, 157, 158, 184, 192, 228, 296, 369, 385, 389, 405, 412, 417, 418, 419, 422], "aris": [52, 408, 412, 418], "arithmet": [107, 414], "arizona": 407, "arm": [223, 224, 402, 407], "arm_index": 387, "around": [177, 219, 221, 389, 405, 416, 418], "arr": [274, 275, 276, 337], "arrai": [105, 274, 275, 276, 287, 323, 332, 336, 337, 347, 382, 405, 416, 420], "arriv": 403, "aryl": [362, 363, 365, 368, 403, 415], "ascend": 389, "ask": [403, 405, 406, 411], "aspect": [367, 371, 372, 391, 394, 410, 413], "assembl": 418, "assembli": 423, "assert": [58, 374, 375, 376, 377, 378, 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"baybe.surrogates.utils.batchify_ensemble_predictor", "baybe.surrogates.utils.batchify_mean_var_prediction", "baybe.surrogates.utils.catch_constant_targets", "baybe.surrogates.validation", "baybe.surrogates.validation.get_model_params_validator", "baybe.surrogates.validation.validate_custom_architecture_cls", "baybe.targets", "baybe.targets.base", "Target", "baybe.targets.binary", "BinaryTarget", "baybe.targets.binary.ChoiceValue", "baybe.targets.enum", "TargetMode", "TargetTransformation", "baybe.targets.numerical", "NumericalTarget", "baybe.targets.transforms", "baybe.targets.transforms.bell_transform", "baybe.targets.transforms.linear_transform", "baybe.targets.transforms.triangular_transform", "baybe.telemetry", "baybe.telemetry.get_user_details", "baybe.telemetry.is_enabled", "baybe.telemetry.telemetry_record_recommended_measurement_percentage", "baybe.telemetry.telemetry_record_value", "baybe.utils", "baybe.utils.augmentation", "baybe.utils.augmentation.df_apply_dependency_augmentation", "baybe.utils.augmentation.df_apply_permutation_augmentation", "baybe.utils.basic", "Dummy", "classproperty", "baybe.utils.basic.find_subclass", "baybe.utils.basic.get_baseclasses", "baybe.utils.basic.get_subclasses", "baybe.utils.basic.group_duplicate_values", "baybe.utils.basic.hilberts_factory", "baybe.utils.basic.match_attributes", "baybe.utils.basic.refers_to", "baybe.utils.basic.register_hooks", "baybe.utils.basic.to_tuple", "baybe.utils.boolean", "baybe.utils.boolean.check_if_in", "baybe.utils.boolean.is_abstract", "baybe.utils.boolean.strtobool", "baybe.utils.botorch_wrapper", "baybe.utils.botorch_wrapper.botorch_function_wrapper", "baybe.utils.chemistry", "baybe.utils.chemistry.get_canonical_smiles", "baybe.utils.chemistry.is_valid_smiles", "baybe.utils.chemistry.name_to_smiles", "baybe.utils.chemistry.smiles_to_fp_features", "baybe.utils.chemistry.smiles_to_molecules", "baybe.utils.chemistry.smiles_to_mordred_features", "baybe.utils.chemistry.smiles_to_rdkit_features", "baybe.utils.conversion", "baybe.utils.conversion.fraction_to_float", "baybe.utils.conversion.nonstring_to_tuple", "baybe.utils.dataframe", "baybe.utils.dataframe.add_fake_results", "baybe.utils.dataframe.add_parameter_noise", "baybe.utils.dataframe.df_drop_single_value_columns", "baybe.utils.dataframe.df_drop_string_columns", "baybe.utils.dataframe.df_uncorrelated_features", "baybe.utils.dataframe.fuzzy_row_match", "baybe.utils.dataframe.pretty_print_df", "baybe.utils.dataframe.to_tensor", "baybe.utils.interval", "baybe.utils.interval.InfiniteIntervalError", "Interval", "baybe.utils.interval.convert_bounds", "baybe.utils.interval.use_fallback_constructor_hook", "baybe.utils.memory", "baybe.utils.memory.bytes_to_human_readable", "baybe.utils.numerical", "baybe.utils.numerical.DTypeFloatNumpy", "baybe.utils.numerical.DTypeFloatONNX", 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for full simulation loop using a custom analytical test function", "Example for full simulation loop using a table-based lookup mechanism with initial", "Example for full simulation loop using a table-based lookup mechanism", "Example for full simulation loop using a custom analytical test function in a hybrid", "Example for full simulation loop using a table-based lookup mechanism with incomplete", "Example for full simulation loop using the multi target mode for custom analytic", "Basics", "Basic example for using BayBE", "Example for using different strategies", "Constraints Continuous", "Example for constraints in a hybrid searchspace", "Example for linear constraints in a continuous searchspace", "Constraints Discrete", "Example for using custom constraints in discrete searchspaces", "Example for using dependency constraints in discrete searchspaces", "Example for using exclusion constraints in discrete searchspaces", "Example for using a mixture use case in a discrete searchspace", "Example for using exclusion constraints incorporating sums and products", "Custom Hooks", "Registering Custom Hooks", "Campaign Stopping", "Monitoring the Probability of Improvement", "Custom Surrogates", "Example for surrogate model with a custom pretrained model", "Example for custom parameter passing in surrogate models", "Multi-Armed Bandit", "Bernoulli Multi Armed Bandit", "Multi Target", "Example for using the multi target mode for the objective", "Searchspaces", "Example for using a synthetic BoTorch test function in a continuous searchspace", "Example for using a custom BoTorch test function in a continuous searchspace", "Example for using a synthetic BoTorch test function in a discrete searchspace", "Example for using synthetic test functions in hybrid spaces", "Serialization", "Example for the serialization of a campaign", "Example for creating campaigns from configs", "Example for validation of a config file", "Transfer Learning", "Backtesting", "Transfer 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