| Dataset Name | SOTA Method | Metric | Trend | ||
|---|---|---|---|---|---|
| Composite | ORDER-alpha | RMSE (Yield)139.532 | 24 | 5mo ago | |
| Nanofiber | ORDER-alpha | RMSE (Fractional)1.702 | 24 | 5mo ago | |
| SMolInstruct ClinTox | BioMatrix-4B | ClinTox Accuracy94.41 | 19 | 1mo ago | |
| SMolInstruct BBBP | BioMedGPT-Mol-8B | BBBP Accuracy87.6 | 19 | 1mo ago | |
| SMolInstruct Lipo | Lipo RMSE0.612 | 19 | 1mo ago | ||
| SMolInstruct ESOL | BioMatrix-1.7B | ESOL RMSE0.81 | 19 | 1mo ago | |
| PolyBench (test) | PolyLM (ChemLLM-7B) | r0.98 | 19 | 5mo ago | |
| CYP3A4 | SMILES-Mamba | PR-AUC89.3 | 18 | 4mo ago | |
| AMES | ODC | ROC-AUC0.886 | 18 | 4mo ago | |
| DOCKSTRING | ESA | ESR2 (R2)0.7 | 16 | 5mo ago | |
| CYP1A2 | ROC-AUC91.2 | 13 | 4mo ago | ||
| CYP2D6 | ROC-AUC83.5 | 13 | 4mo ago | ||
| HIV | ODC | ROC-AUC80.8 | 13 | 4mo ago | |
| Tox21 SR-ARE | ODC | ROC-AUC75.4 | 13 | 4mo ago | |
| SIDER SMolInstruct | BioMatrix-4B | Accuracy72.48 | 11 | 1mo ago | |
| HIV SMolInstruct | BioMatrix-4B | Accuracy97.56 | 11 | 1mo ago | |
| QM9 random (test) | SchNet | alpha (bohr^3)0.235 | 11 | 5mo ago | |
| QED GED k=5 | MolT5-base | RMSE0.1292 | 10 | 23d ago | |
| QED GED (k=4) | MolT5-base | RMSE0.1279 | 10 | 23d ago | |
| QED GED (k=3) | MolT5-base | RMSE0.1213 | 10 | 23d ago | |
| QED GED (k=2) | MolT5-large | RMSE0.1116 | 10 | 23d ago | |
| QED GED k=1 | MolT5-large | RMSE0.0973 | 10 | 23d ago | |
| MatBench jdft2d-636 (test) | ReciNet | MAE31.6 | 7 | 1mo ago | |
| MatBench e_form-132752 (test) | ReciNet | MAE16.1 | 7 | 1mo ago | |
| MP-mag (test) | Energy (meV/atom)18.75 | 6 | 1mo ago |
