Adding docs to gh_pages for f96049d

CDDLeiden · Mar 28, 2024 · f5471c0 · f5471c0
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diff --git a/docs-dev/_modules/index.html b/docs-dev/_modules/index.html
@@ -3,7 +3,7 @@
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>Overview: module code &mdash; QSPRpred 3.0.2a3.dev11+g06079a5a documentation</title>
+  <title>Overview: module code &mdash; QSPRpred 3.0.2a4.dev5+gf96049df documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
@@ -16,7 +16,7 @@
 
         <script src="../_static/jquery.js?v=5d32c60e"></script>
         <script src="../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script src="../_static/documentation_options.js?v=fe80501d"></script>
+        <script src="../_static/documentation_options.js?v=ce784b25"></script>
         <script src="../_static/doctools.js?v=888ff710"></script>
         <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
         <script>
@@ -53,7 +53,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.0.2a3.dev11+g06079a5a
+                v3.0.2a4.dev5+gf96049df
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../search.html" method="get">
@@ -155,7 +155,7 @@ <h1>All modules for which code is available</h1>
 <li><a href="qsprpred/models/early_stopping.html">qsprpred.models.early_stopping</a></li>
 <li><a href="qsprpred/models/hyperparam_optimization.html">qsprpred.models.hyperparam_optimization</a></li>
 <li><a href="qsprpred/models/metrics.html">qsprpred.models.metrics</a></li>
-<li><a href="qsprpred/models/models.html">qsprpred.models.models</a></li>
+<li><a href="qsprpred/models/model.html">qsprpred.models.model</a></li>
 <li><a href="qsprpred/models/monitors.html">qsprpred.models.monitors</a></li>
 <li><a href="qsprpred/models/scikit_learn.html">qsprpred.models.scikit_learn</a></li>
 <li><a href="qsprpred/models/tests.html">qsprpred.models.tests</a></li>

diff --git a/docs-dev/_modules/qsprpred/benchmarks/replica.html b/docs-dev/_modules/qsprpred/benchmarks/replica.html
@@ -3,7 +3,7 @@
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.benchmarks.replica &mdash; QSPRpred 3.0.2a3.dev11+g06079a5a documentation</title>
+  <title>qsprpred.benchmarks.replica &mdash; QSPRpred 3.0.2a4.dev5+gf96049df documentation</title>
       <link rel="stylesheet" type="text/css" href="../../../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../../../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
@@ -16,7 +16,7 @@
 
         <script src="../../../_static/jquery.js?v=5d32c60e"></script>
         <script src="../../../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script src="../../../_static/documentation_options.js?v=fe80501d"></script>
+        <script src="../../../_static/documentation_options.js?v=ce784b25"></script>
         <script src="../../../_static/doctools.js?v=888ff710"></script>
         <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
         <script>
@@ -53,7 +53,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.0.2a3.dev11+g06079a5a
+                v3.0.2a4.dev5+gf96049df
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../../../search.html" method="get">
@@ -111,7 +111,7 @@ <h1>Source code for qsprpred.benchmarks.replica</h1><div class="highlight"><pre>
 <span class="kn">from</span> <span class="nn">..data.sources.data_source</span> <span class="kn">import</span> <span class="n">DataSource</span>
 <span class="kn">from</span> <span class="nn">..logs</span> <span class="kn">import</span> <span class="n">logger</span>
 <span class="kn">from</span> <span class="nn">..models.hyperparam_optimization</span> <span class="kn">import</span> <span class="n">HyperparameterOptimization</span>
-<span class="kn">from</span> <span class="nn">..models.models</span> <span class="kn">import</span> <span class="n">QSPRModel</span>
+<span class="kn">from</span> <span class="nn">..models.model</span> <span class="kn">import</span> <span class="n">QSPRModel</span>
 <span class="kn">from</span> <span class="nn">..models.monitors</span> <span class="kn">import</span> <span class="n">NullMonitor</span>
 <span class="kn">from</span> <span class="nn">..tasks</span> <span class="kn">import</span> <span class="n">TargetProperty</span>
 <span class="kn">from</span> <span class="nn">..utils.serialization</span> <span class="kn">import</span> <span class="n">JSONSerializable</span>

diff --git a/docs-dev/_modules/qsprpred/benchmarks/runner.html b/docs-dev/_modules/qsprpred/benchmarks/runner.html
@@ -3,7 +3,7 @@
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.benchmarks.runner &mdash; QSPRpred 3.0.2a3.dev11+g06079a5a documentation</title>
+  <title>qsprpred.benchmarks.runner &mdash; QSPRpred 3.0.2a4.dev5+gf96049df documentation</title>
       <link rel="stylesheet" type="text/css" href="../../../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../../../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
@@ -16,7 +16,7 @@
 
         <script src="../../../_static/jquery.js?v=5d32c60e"></script>
         <script src="../../../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script src="../../../_static/documentation_options.js?v=fe80501d"></script>
+        <script src="../../../_static/documentation_options.js?v=ce784b25"></script>
         <script src="../../../_static/doctools.js?v=888ff710"></script>
         <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
         <script>
@@ -53,7 +53,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.0.2a3.dev11+g06079a5a
+                v3.0.2a4.dev5+gf96049df
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../../../search.html" method="get">

diff --git a/docs-dev/_modules/qsprpred/benchmarks/settings/benchmark.html b/docs-dev/_modules/qsprpred/benchmarks/settings/benchmark.html
@@ -3,7 +3,7 @@
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.benchmarks.settings.benchmark &mdash; QSPRpred 3.0.2a3.dev11+g06079a5a documentation</title>
+  <title>qsprpred.benchmarks.settings.benchmark &mdash; QSPRpred 3.0.2a4.dev5+gf96049df documentation</title>
       <link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../../../../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
@@ -16,7 +16,7 @@
 
         <script src="../../../../_static/jquery.js?v=5d32c60e"></script>
         <script src="../../../../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script src="../../../../_static/documentation_options.js?v=fe80501d"></script>
+        <script src="../../../../_static/documentation_options.js?v=ce784b25"></script>
         <script src="../../../../_static/doctools.js?v=888ff710"></script>
         <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
         <script>
@@ -53,7 +53,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.0.2a3.dev11+g06079a5a
+                v3.0.2a4.dev5+gf96049df
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../../../../search.html" method="get">
@@ -105,7 +105,7 @@ <h1>Source code for qsprpred.benchmarks.settings.benchmark</h1><div class="highl
 <span class="kn">from</span> <span class="nn">...data.descriptors.sets</span> <span class="kn">import</span> <span class="n">DescriptorSet</span>
 <span class="kn">from</span> <span class="nn">...data.sources.data_source</span> <span class="kn">import</span> <span class="n">DataSource</span>
 <span class="kn">from</span> <span class="nn">...models.hyperparam_optimization</span> <span class="kn">import</span> <span class="n">HyperparameterOptimization</span>
-<span class="kn">from</span> <span class="nn">...models.models</span> <span class="kn">import</span> <span class="n">QSPRModel</span>
+<span class="kn">from</span> <span class="nn">...models.model</span> <span class="kn">import</span> <span class="n">QSPRModel</span>
 <span class="kn">from</span> <span class="nn">...tasks</span> <span class="kn">import</span> <span class="n">TargetProperty</span>
 <span class="kn">from</span> <span class="nn">...utils.serialization</span> <span class="kn">import</span> <span class="n">JSONSerializable</span>
 

diff --git a/docs-dev/_modules/qsprpred/benchmarks/settings/data_prep.html b/docs-dev/_modules/qsprpred/benchmarks/settings/data_prep.html
@@ -3,7 +3,7 @@
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.benchmarks.settings.data_prep &mdash; QSPRpred 3.0.2a3.dev11+g06079a5a documentation</title>
+  <title>qsprpred.benchmarks.settings.data_prep &mdash; QSPRpred 3.0.2a4.dev5+gf96049df documentation</title>
       <link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../../../../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
@@ -16,7 +16,7 @@
 
         <script src="../../../../_static/jquery.js?v=5d32c60e"></script>
         <script src="../../../../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script src="../../../../_static/documentation_options.js?v=fe80501d"></script>
+        <script src="../../../../_static/documentation_options.js?v=ce784b25"></script>
         <script src="../../../../_static/doctools.js?v=888ff710"></script>
         <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
         <script>
@@ -53,7 +53,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.0.2a3.dev11+g06079a5a
+                v3.0.2a4.dev5+gf96049df
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../../../../search.html" method="get">

diff --git a/docs-dev/_modules/qsprpred/benchmarks/tests.html b/docs-dev/_modules/qsprpred/benchmarks/tests.html
@@ -3,7 +3,7 @@
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.benchmarks.tests &mdash; QSPRpred 3.0.2a3.dev11+g06079a5a documentation</title>
+  <title>qsprpred.benchmarks.tests &mdash; QSPRpred 3.0.2a4.dev5+gf96049df documentation</title>
       <link rel="stylesheet" type="text/css" href="../../../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../../../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
@@ -16,7 +16,7 @@
 
         <script src="../../../_static/jquery.js?v=5d32c60e"></script>
         <script src="../../../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script src="../../../_static/documentation_options.js?v=fe80501d"></script>
+        <script src="../../../_static/documentation_options.js?v=ce784b25"></script>
         <script src="../../../_static/doctools.js?v=888ff710"></script>
         <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
         <script>
@@ -53,7 +53,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.0.2a3.dev11+g06079a5a
+                v3.0.2a4.dev5+gf96049df
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../../../search.html" method="get">

diff --git a/docs-dev/_modules/qsprpred/data/chem/clustering.html b/docs-dev/_modules/qsprpred/data/chem/clustering.html
@@ -3,7 +3,7 @@
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.data.chem.clustering &mdash; QSPRpred 3.0.2a3.dev11+g06079a5a documentation</title>
+  <title>qsprpred.data.chem.clustering &mdash; QSPRpred 3.0.2a4.dev5+gf96049df documentation</title>
       <link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../../../../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
@@ -16,7 +16,7 @@
 
         <script src="../../../../_static/jquery.js?v=5d32c60e"></script>
         <script src="../../../../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script src="../../../../_static/documentation_options.js?v=fe80501d"></script>
+        <script src="../../../../_static/documentation_options.js?v=ce784b25"></script>
         <script src="../../../../_static/doctools.js?v=888ff710"></script>
         <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
         <script>
@@ -53,7 +53,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.0.2a3.dev11+g06079a5a
+                v3.0.2a4.dev5+gf96049df
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../../../../search.html" method="get">

diff --git a/docs-dev/_modules/qsprpred/data/chem/matching.html b/docs-dev/_modules/qsprpred/data/chem/matching.html
@@ -3,7 +3,7 @@
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.data.chem.matching &mdash; QSPRpred 3.0.2a3.dev11+g06079a5a documentation</title>
+  <title>qsprpred.data.chem.matching &mdash; QSPRpred 3.0.2a4.dev5+gf96049df documentation</title>
       <link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../../../../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
@@ -16,7 +16,7 @@
 
         <script src="../../../../_static/jquery.js?v=5d32c60e"></script>
         <script src="../../../../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script src="../../../../_static/documentation_options.js?v=fe80501d"></script>
+        <script src="../../../../_static/documentation_options.js?v=ce784b25"></script>
         <script src="../../../../_static/doctools.js?v=888ff710"></script>
         <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
         <script>
@@ -53,7 +53,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.0.2a3.dev11+g06079a5a
+                v3.0.2a4.dev5+gf96049df
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../../../../search.html" method="get">

diff --git a/docs-dev/_modules/qsprpred/data/chem/scaffolds.html b/docs-dev/_modules/qsprpred/data/chem/scaffolds.html
@@ -3,7 +3,7 @@
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.data.chem.scaffolds &mdash; QSPRpred 3.0.2a3.dev11+g06079a5a documentation</title>
+  <title>qsprpred.data.chem.scaffolds &mdash; QSPRpred 3.0.2a4.dev5+gf96049df documentation</title>
       <link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../../../../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
@@ -16,7 +16,7 @@
 
         <script src="../../../../_static/jquery.js?v=5d32c60e"></script>
         <script src="../../../../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script src="../../../../_static/documentation_options.js?v=fe80501d"></script>
+        <script src="../../../../_static/documentation_options.js?v=ce784b25"></script>
         <script src="../../../../_static/doctools.js?v=888ff710"></script>
         <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
         <script>
@@ -53,7 +53,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.0.2a3.dev11+g06079a5a
+                v3.0.2a4.dev5+gf96049df
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 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../../../../search.html" method="get">

diff --git a/docs-dev/_modules/qsprpred/data/chem/standardization.html b/docs-dev/_modules/qsprpred/data/chem/standardization.html
@@ -3,7 +3,7 @@
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.data.chem.standardization &mdash; QSPRpred 3.0.2a3.dev11+g06079a5a documentation</title>
+  <title>qsprpred.data.chem.standardization &mdash; QSPRpred 3.0.2a4.dev5+gf96049df documentation</title>
       <link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../../../../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
@@ -16,7 +16,7 @@
 
         <script src="../../../../_static/jquery.js?v=5d32c60e"></script>
         <script src="../../../../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script src="../../../../_static/documentation_options.js?v=fe80501d"></script>
+        <script src="../../../../_static/documentation_options.js?v=ce784b25"></script>
         <script src="../../../../_static/doctools.js?v=888ff710"></script>
         <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
         <script>
@@ -53,7 +53,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.0.2a3.dev11+g06079a5a
+                v3.0.2a4.dev5+gf96049df
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../../../../search.html" method="get">

diff --git a/docs-dev/_modules/qsprpred/data/chem/tests.html b/docs-dev/_modules/qsprpred/data/chem/tests.html
@@ -3,7 +3,7 @@
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.data.chem.tests &mdash; QSPRpred 3.0.2a3.dev11+g06079a5a documentation</title>
+  <title>qsprpred.data.chem.tests &mdash; QSPRpred 3.0.2a4.dev5+gf96049df documentation</title>
       <link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../../../../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
@@ -16,7 +16,7 @@
 
         <script src="../../../../_static/jquery.js?v=5d32c60e"></script>
         <script src="../../../../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script src="../../../../_static/documentation_options.js?v=fe80501d"></script>
+        <script src="../../../../_static/documentation_options.js?v=ce784b25"></script>
         <script src="../../../../_static/doctools.js?v=888ff710"></script>
         <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
         <script>
@@ -53,7 +53,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.0.2a3.dev11+g06079a5a
+                v3.0.2a4.dev5+gf96049df
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../../../../search.html" method="get">