Force Prediction on MD17 Ethanol
0.136MAE (kcal/mol/Å)FCHL19
Evaluation results
| Method | Links | |
|---|---|---|
| FCHL19Training Supervision=energies & forces2021.02 | 0.136 | |
| PhysNetTraining Supervision=energies & forces2021.02 | 0.16 | |
| NequIPTraining Supervision=forces only2021.02 | 0.208 | |
| PaiNNTraining Supervision=forces only2021.02 | 0.224 | |
| DimeNetTraining Supervision=energies & forces2021.02 | 0.23 | |
| PaiNNTraining Supervision=energies & forces2021.02 | 0.23 | |
| sGDMLTraining Supervision=forces only2021.02 | 0.33 | |
| SchNetTraining Supervision=energies & forces2021.02 | 0.39 |