Interatomic Potential Prediction on MD22 Double-walled nanotube (test)
0.116Energy MAESO3krates
Evaluation results
| Method | Links | ||
|---|---|---|---|
| SO3krates2024.05 | 0.116 | 31.53 | |
| Equiformer2024.05 | 0.14 | 11.91 | |
| TorchMD-Net2024.05 | 0.173 | 43.5 | |
| MACE2024.05 | 0.194 | 12 | |
| ViSNet-LSRM2024.05 | 0.214 | 14.71 | |
| Allegro2024.05 | 0.259 | 14.87 | |
| ICTPsym2024.05 | 0.352 | 12.64 | |
| sGDML2024.05 | 0.468 | 22.55 |