Interatomic Potential Prediction on MD22 AT-AT-CG-CG (test)
0.042Energy MAEViSNet-LSRM
Evaluation results
| Method | Links | ||
|---|---|---|---|
| ViSNet-LSRM2024.05 | 0.042 | 4.61 | |
| ICTPsym2024.05 | 0.045 | 3.37 | |
| Equiformer2024.05 | 0.055 | 5.43 | |
| MACE2024.05 | 0.058 | 5 | |
| TorchMD-Net2024.05 | 0.076 | 14.13 | |
| SO3krates2024.05 | 0.127 | 14.4 | |
| Allegro2024.05 | 0.145 | 5.55 | |
| sGDML2024.05 | 0.52 | 30.36 |