Force Prediction on MD17 Benzene
0.14MAE (kcal/mol/Å)PhysNet-ens5
Evaluation results
| Method | Links | |
|---|---|---|
| PhysNet-ens5Training Supervision=energies and forces, Training Set Size=50k, Evaluation Mode=ensemble of five models2019.02 | 0.14 | |
| PhysNetTraining Supervision=energies and forces, Training Set Size=50k, Evaluation Mode=averaged over five runs2019.02 | 0.15 | |
| SchNetTraining Supervision=energies and forces, Training Set Size=50k2019.02 | 0.17 | |
| GDMLTraining Supervision=forces only, Training Set Size=50k2019.02 | 0.24 |