| Dataset Name | SOTA Method | Metric | Trend | ||
|---|---|---|---|---|---|
| ZINC 10K (test) | Hierarchical Inter-Message Passing | MAE0.151 | 34 | 1mo ago | |
| QM9 Zpve (test) | MolPeg | MAE1.62 | 24 | 1mo ago | |
| QM9 U0 (test) | MolPeg | MAE14.3 | 24 | 1mo ago | |
| ESOL (test) | S-CGIB | RMSE0.816 | 16 | 1mo ago | |
| PharmaBench | CYP2C9 Prediction18.471 | 15 | 9d ago | ||
| ZINC full (test) | Hierarchical Inter-Message Passing | MAE0.036 | 10 | 1mo ago | |
| MoleculeNet Gap | BioT5+ | MAE0.0028 | 9 | 1mo ago | |
| MoleculeNet LUMO | BioT5+ | MAE0.0024 | 9 | 1mo ago | |
| MoleculeNet HOMO | BioT5+ | MAE0.0022 | 9 | 1mo ago | |
| MoleculeNet LogS | LlaSMol | RMSE1.21 | 8 | 1mo ago | |
| MoleculeNet LogD | Mol-LLM | RMSE0.91 | 7 | 1mo ago | |
| ESOL GROVER (test) | DMP_TF | RMSE0.7 | 3 | 1mo ago | |
| QM8 GROVER (test) | DMP_TF | MAE0.0124 | 2 | 1mo ago | |
| QM7 GROVER split (test) | DMP_TF | MAE69.6 | 2 | 1mo ago |
