Energy and Force Prediction on Water (test)
34Force RMSE (meV/Å)CAMP
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| CAMP2026.03 | 34 | — | — | — | |
| MACE2026.03 | 36 | — | — | — | |
| NequIP2026.03 | 45 | — | — | — | |
| CACE2026.03 | 47 | — | — | — | |
| REANN2026.03 | 53 | — | — | — | |
| MLANet2026.03 | 60 | — | — | — | |
| DeePMD2026.03 | 92 | — | — | — | |
| ACE2026.03 | 99 | — | — | — | |
| BPNN2026.03 | 120 | — | — | — | |
| MACE2023.05 | — | 15.7 | 138 | — | |
| NequIP2023.05 | — | 47.8 | 199 | 175 | |
| PaiNN2023.05 | — | 22.9 | 237 | 208 | |
| PET-1-ensEnsemble=true, Test rotational augmentation (orientations)=1, ECSE=false2023.05 | — | 16.8 | 128.1 | 113.6 | |
| PET-10-ensEnsemble=true, Test rotational augmentation (orientations)=10, ECSE=false2023.05 | — | 16.8 | 127.9 | 113.5 | |
| PET-ECSE-ensEnsemble=true, ECSE=true2023.05 | — | 16.8 | 128.5 | 114 | |
| SchNet2023.05 | — | 33.6 | 283 | 247 | |
| TeaNet2023.05 | — | 19.6 | 174 | 153 |