PCBA
Benchmarks
Task NameDataset NameSOTA ResultTrendResults
PCBA
77.75AUC-ROC
31
PCBA MoleculeNet (scaffold)
88.87ROC-AUC
13
PCBA Large-scale (test)
90.47CA (%)
10
PCBA (test)
80.39Accuracy
10
PCBA scaffold (test)
0.292PR AUC
10
PCBA MoleculeNet (test)
100Validity
7
PCBA
27AP
6