Energy and Force Prediction on rMD17 Naphthalene
2.1Energy MAE (meV)NequIP
Evaluation results
| Method | Links | ||
|---|---|---|---|
| NequIPTraining size=50 molecules, Training mode=From scratch2026.05 | 2.1 | 10 | |
| PACETraining size=50 molecules, Training mode=From scratch2026.05 | 2.1 | 9.7 | |
| MACETraining size=50 molecules, Training mode=From scratch2026.05 | 2.1 | 9.2 | |
| MACETraining size=50 molecules, Training mode=Pruning (50%)2026.05 | 2.1 | 8.9 | |
| ACETraining size=50 molecules, Training mode=From scratch2026.05 | 3.8 | 19.7 |