Energy and Force Prediction on rMD17 Benzene
0.2Energy MAE (meV)ACE
Evaluation results
| Method | Links | ||
|---|---|---|---|
| ACETraining size=50 molecules, Training mode=From scratch2026.05 | 0.2 | 2.7 | |
| NequIPTraining size=50 molecules, Training mode=From scratch2026.05 | 0.6 | 2.9 | |
| PACETraining size=50 molecules, Training mode=From scratch2026.05 | 0.6 | 3.3 | |
| MACETraining size=50 molecules, Training mode=Pruning (50%)2026.05 | 0.6 | 2.9 | |
| MACETraining size=50 molecules, Training mode=From scratch2026.05 | 0.7 | 2.7 |