Interatomic Potential Prediction on MD22 DHA (test)
0.068Energy MAEViSNet-LSRM
Evaluation results
| Method | Links | ||
|---|---|---|---|
| ViSNet-LSRM2024.05 | 0.068 | 2.59 | |
| ICTPsym2024.05 | 0.08 | 2.62 | |
| Allegro2024.05 | 0.089 | 3.17 | |
| TorchMD-Net2024.05 | 0.093 | 5.24 | |
| MACE2024.05 | 0.102 | 2.8 | |
| Equiformer2024.05 | 0.138 | 2.19 | |
| SO3krates2024.05 | 0.293 | 10.49 | |
| sGDML2024.05 | 0.997 | 32.52 |