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PCBA

Benchmarks

Task NameDataset NameSOTA ResultTrend
Graph ClassificationPCBA
AUC-ROC77.75
17
Molecular property predictionPCBA MoleculeNet (scaffold)
ROC-AUC88.87
13
Graph ClassificationPCBA (test)
Accuracy80.39
10
Molecule ClassificationPCBA scaffold (test)
PR AUC0.292
10
Molecular ClassificationPCBA
AP27
6
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