Energy and Force Prediction on rMD17 Uracil
3.1Energy MAE (meV)MACE
Evaluation results
| Method | Links | ||
|---|---|---|---|
| MACETraining size=50 molecules, Training mode=Pruning (50%)2026.05 | 3.1 | 16 | |
| MACETraining size=50 molecules, Training mode=From scratch2026.05 | 4.4 | 25.9 | |
| PACETraining size=50 molecules, Training mode=From scratch2026.05 | 5.9 | 26.8 | |
| ACETraining size=50 molecules, Training mode=From scratch2026.05 | 6.5 | 36.2 | |
| NequIPTraining size=50 molecules, Training mode=From scratch2026.05 | 7.3 | 40.1 |