| dataset,split,pairs,positive,negative,unique_ligands_pubchem_id,unique_proteins_uniprot_id | |
| p_ood_25,train,10492,5246,5246,8276,2921 | |
| p_ood_25,validation,1317,659,658,1072,619 | |
| p_ood_25,test,1317,658,659,1076,646 | |
| p_ood_28,train,10492,5246,5246,7424,2492 | |
| p_ood_28,validation,1317,659,658,1214,707 | |
| p_ood_28,test,1317,658,659,1196,707 | |
| p_ood_31,train,10492,5246,5246,8623,2665 | |
| p_ood_31,validation,1317,659,658,1242,803 | |
| p_ood_31,test,1317,658,659,1215,796 | |
| p_ood_33,train,10492,5246,5246,9442,4174 | |
| p_ood_33,validation,1317,659,658,1291,1075 | |
| p_ood_33,test,1317,658,659,1299,1046 | |