OMol25
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Molecular Energy Prediction | OMol25 (test) | Average Rank3.43 | 17 | |
| Interatomic Potential Prediction | OMol25-4M (val) | Energy MAE/Atom (meV)1.12 | 8 | |
| Molecular Energy and Force Prediction | OMol25 Full 102M 1.0 (All) | Biomolecules Energy MAE (meV)0.15 | 7 | |
| Molecular Property Prediction | OMol25 (val) | Energy MAE (Biomol.) (meV)22.25 | 7 | |
| Molecular Energy and Force Prediction | OMol25 4M 1.0 | Biomol. Energy MAE (meV)0.2 | 6 | |
| Molecular Property Prediction | OMol25 4M (val) | Biomol Energy MAE (meV)28.27 | 6 | |
| Molecular Property Prediction | OMol25 v1 (val-comp) | Biomolecules Energy Error0.52 | 6 | |
| Molecular Conformer Property Prediction | OMol25 | Ligand Strain (meV)2.96 | 4 |
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