| Dataset Name | SOTA Method | Metric | Trend | ||
|---|---|---|---|---|---|
| MoleculeNet (scaffold split) | MolXPT | BBBP80 | 85 | 4mo ago | |
| DrugOOD-EC50 (assay) | MPHIL | Average Accuracy78.08 | 40 | 18d ago | |
| DrugOOD-IC50 (assay) | MPHIL | Average Accuracy72.96 | 40 | 18d ago | |
| HIV MoleculeNet (test) | Hierarchical Inter-Message Passing | AUROC84.81 | 40 | 3mo ago | |
| ogbg-HIV | GREA | ROC AUC79.32 | 28 | 4mo ago | |
| DrugOOD-EC50 (scaffold) | MPHIL | Average Accuracy68.34 | 20 | 18d ago | |
| DrugOOD-IC50 (scaffold) | CIGA | Average Accuracy69.14 | 20 | 18d ago | |
| ogbg-SIDER | GREA | ROC-AUC63.16 | 18 | 4mo ago | |
| ogbg-Tox21 | GREA | ROC-AUC78.22 | 18 | 4mo ago | |
| ogbg-ToxCast | GREA | ROC-AUC67.5 | 18 | 4mo ago | |
| Clintox MoleculeNet (test) | BioT5 | AUROC0.954 | 15 | 4mo ago | |
| Overall | N-Gram XGB | Top-1 Count21 | 8 | 4mo ago | |
| QM9 MoleculeNet (test) | Llama2-7B | HOMO Energy0.7367 | 6 | 4mo ago | |
| MoleculeNet BACE | MolReFlect | ROC-AUC0.8795 | 3 | 2mo ago | |
| PDBBind | - | - | 0 | 4mo ago |
