Interatomic Potential Prediction on MD22 Ac-Ala3-NHMe (test)
0.064Energy MAEMACE
Evaluation results
| Method | Links | ||
|---|---|---|---|
| MACE2024.05 | 0.064 | 3.8 | |
| ICTPsymRelative energy weight (Ce)=10/N_at^2, Force weight (Cf)=1 A^-22024.05 | 0.068 | 3.28 | |
| ViSNet-LSRM2024.05 | 0.068 | 3.91 | |
| Equiformer2024.05 | 0.085 | 3.49 | |
| Allegro2024.05 | 0.105 | 4.63 | |
| TorchMD-Net2024.05 | 0.116 | 8.15 | |
| SO3krates2024.05 | 0.348 | 10.58 | |
| sGDML2024.05 | 0.403 | 34.26 |