Merge pull request #215 from ayushnoori/main

Add Blood-Brain Barrier Database (B3DB) to TDC
mims-harvard · Feb 21, 2024 · 10865f6 · 10865f6
2 parents 7d43896 + 5f99b47
commit 10865f6
Showing 1 changed file with 6 additions and 0 deletions.
diff --git a/tdc/metadata.py b/tdc/metadata.py
@@ -113,6 +113,8 @@
     "cyp2d6_substrate_carbonmangels",
     "cyp3a4_substrate_carbonmangels",
     "bbb_martins",
+    "b3db_classification",
+    "b3db_regression",
     "ppbr_az",
     "half_life_obach",
     "clearance_hepatocyte_az",
@@ -653,6 +655,8 @@ def get_task2category():
     "clearance_edrug3d": "tab",
     "bbb_adenot": "tab",
     "bbb_martins": "tab",
+    "b3db_classification": "tab",
+    "b3db_regression": "tab",
     "ppbr_ma": "tab",
     "ppbr_edrug3d": "tab",
     "hiv": "tab",
@@ -740,6 +744,8 @@ def get_task2category():
 name2id = {
     "bbb_adenot": 4259565,
     "bbb_martins": 4259566,
+    "b3db_classification": 7878566,
+    "b3db_regression": 7878567,
     "bindingdb_ic50": 4291560,
     "bindingdb_kd": 4291555,
     "bindingdb_ki": 4291556,