diff --git a/single_pred_tasks/MPC/index.html b/single_pred_tasks/MPC/index.html index 1136959f..b7593bd1 100644 --- a/single_pred_tasks/MPC/index.html +++ b/single_pred_tasks/MPC/index.html @@ -292,20 +292,22 @@
Dataset Split: Random Split Scaffold Split
from tdc.single_pred import MPC
-data = MPC(name = "INSERT_URL_HERE" # url from the source github repo https://github.com/bidd-group/MPCD/tree/main/dataset
+data = MPC(name = "INSERT_URL_HERE") # url from the source github repo https://github.com/bidd-group/MPCD/tree/main/dataset
+# example url: https://github.com/bidd-group/MPCD/blob/main/dataset/ADMET/DeepDelta_benchmark/Caco2.csv
split = data.get_data()
We additionally support direct retrieval from the MoleculeACE API for those datasets. You can call:
+We additionally support direct retrieval from the MoleculeACE API [2] for those datasets. You can call:
-data = MPC(name = "INSERT_MOLECULEACE_HERE", get_from_gh = False # name from MoleculeACE API https://github.com/molML/MoleculeACE?tab=readme-ov-file
+data = MPC(name = "INSERT_MOLECULEACE_HERE", get_from_gh = False) # name from MoleculeACE API https://github.com/molML/MoleculeACE?tab=readme-ov-file
References:
+Dataset License: CC BY 4.0.