rMD17
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Energy and Force Prediction | rMD17 (test) | Energy (meV) - Aspirin1.6 | 16 | |
| Energy prediction | rMD17 revised (test) | Aspirin Energy19.5 | 8 | |
| Energy and Force Prediction | rMD17 Uracil | Energy MAE (meV)3.1 | 5 | |
| Energy and Force Prediction | rMD17 Toluene | Energy MAE (meV)2.1 | 5 | |
| Energy and Force Prediction | rMD17 Salicylic acid | Energy MAE (meV)4.5 | 5 | |
| Energy and Force Prediction | rMD17 Paracetamol | Energy MAE (meV)6.7 | 5 | |
| Energy and Force Prediction | rMD17 Naphthalene | Energy MAE (meV)2.1 | 5 | |
| Energy and Force Prediction | rMD17 Malonaldehyde | Energy MAE (meV)6.7 | 5 | |
| Energy and Force Prediction | rMD17 Aspirin | Energy MAE (meV)10.8 | 5 |
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