PCBA
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Graph Classification | PCBA | AUC-ROC77.75 | 31 | |
| Molecular property prediction | PCBA MoleculeNet (scaffold) | ROC-AUC88.87 | 13 | |
| Graph Classification | PCBA (test) | Accuracy80.39 | 10 | |
| Molecule Classification | PCBA scaffold (test) | PR AUC0.292 | 10 | |
| Unconditional molecule generation | PCBA MoleculeNet (test) | Validity100 | 7 | |
| Molecular Classification | PCBA | AP27 | 6 |
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