OGB-MolPCBA
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Molecular graph classification | OGB-MolPCBA WILDS (test) | Mean Risk0.051 | 9 | |
| Molecular property prediction | OGB MOLPCBA | AP27.8 | 7 | |
| Molecular Property Prediction | OGB-MolPCBA OOD WILDS (test) | AP27.2 | 7 | |
| Domain Generalization | OGB-MolPCBA (test) | Avg Accuracy27.2 | 6 | |
| Domain Generalization | OGB-MolPCBA (val) | Average Accuracy27.8 | 6 | |
| Molecular Property Prediction | OGB-MolPCBA PCBA-686978 (scaffold generalization) | Accuracy77.1 | 5 | |
| Molecular Property Prediction | OGB-MolPCBA PCBA-504332 (scaffold generalization) | Accuracy86.6 | 5 | |
| Molecular Property Prediction | OGB-MolPCBA PCBA-686979 (scaffold generalization) | Accuracy82.8 | 5 | |
| Molecular Property Prediction | OGB-MolPCBA PCBA-588342 (scaffold generalization) | Accuracy90.8 | 5 |
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