| Dataset Name | SOTA Method | Metric | Trend | ||
|---|---|---|---|---|---|
| Composite | ORDER-alpha | RMSE (Yield)139.532 | 24 | 3mo ago | |
| Nanofiber | ORDER-alpha | RMSE (Fractional)1.702 | 24 | 3mo ago | |
| PolyBench (test) | PolyLM (ChemLLM-7B) | r0.98 | 19 | 3mo ago | |
| CYP3A4 | SMILES-Mamba | PR-AUC89.3 | 18 | 2mo ago | |
| AMES | ODC | ROC-AUC0.886 | 18 | 2mo ago | |
| DOCKSTRING | ESA | ESR2 (R2)0.7 | 16 | 3mo ago | |
| CYP1A2 | ROC-AUC91.2 | 13 | 2mo ago | ||
| CYP2D6 | ROC-AUC83.5 | 13 | 2mo ago | ||
| HIV | ODC | ROC-AUC80.8 | 13 | 2mo ago | |
| Tox21 SR-ARE | ODC | ROC-AUC75.4 | 13 | 2mo ago | |
| QM9 random (test) | SchNet | alpha (bohr^3)0.235 | 11 | 3mo ago | |
| SMolInstruct ClinTox | Intern-S1-mini | ClinTox Accuracy80.6 | 7 | 12d ago | |
| SMolInstruct BBBP | Intern-S1-mini | BBBP Accuracy0.802 | 7 | 12d ago | |
| SMolInstruct Lipo | GPT-5 | Lipo RMSE1.22 | 7 | 12d ago | |
| SMolInstruct ESOL | SciCore-Mol | ESOL RMSE1.73 | 7 | 12d ago | |
| Matbench (test) | DimeNet++ | Delta Epsilon (meV)199 | 6 | 2mo ago | |
| Pendulum | CorrVAE-2 | Pendulum Angle1,555.33 | 6 | 3mo ago | |
| dSprites | CSVAE | Size Prediction Error0.0006 | 6 | 3mo ago | |
| MOVi-E | CODA | Position MSE0.01 | 5 | 3mo ago | |
| QM9 130,831 cleaned version (test) | CGT | HOMO Energy (meV)9.65 | 4 | 2mo ago | |
| Melting temperature 3604 samples | HAPPY + Chemistry | R² Score0.773 | 4 | 3mo ago | |
| Glass transition temperature 6983 samples | HAPPY + Chemistry | R² Score0.909 | 4 | 3mo ago | |
| Band gap energy 3357 samples | HAPPY + Chemistry | R² Score0.913 | 4 | 3mo ago | |
| Density 1672 samples | HAPPY + Chemistry | R² Score0.83 | 4 | 3mo ago | |
| CLEVR (test) | Shape Acc95.7 | 4 | 3mo ago |
