S2EF on Open Catalyst S2EF 2020 (OOD Both)
0.0356MAE (Force)SpinConv (force-centric)
Evaluation results
| Method | Links | ||
|---|---|---|---|
| SpinConv (force-centric)Loss objective=Energy and Force Loss2021.06 | 0.0356 | 0.459 | |
| DimeNet++-largeLoss objective=Force Loss Only2021.06 | 0.0371 | — | |
| ForceNet-largeLoss objective=Force Loss Only2021.06 | 0.0375 | — | |
| SpinConv (energy-centric)Loss objective=Force Loss Only2021.06 | 0.0393 | — | |
| ForceNetLoss objective=Force Loss Only2021.06 | 0.0409 | — | |
| DimeNet++Loss objective=Force Loss Only2021.06 | 0.0417 | — | |
| SpinConv (energy-centric)Loss objective=Energy and Force Loss2021.06 | 0.046 | 0.517 | |
| DimeNet++Loss objective=Energy and Force Loss2021.06 | 0.0558 | 0.648 | |
| SchNetLoss objective=Force Loss Only2021.06 | 0.059 | — | |
| SchNetLoss objective=Energy and Force Loss2021.06 | 0.0652 | 0.716 | |
| MedianLoss objective=Baseline2021.06 | 0.0978 | 2.577 | |
| DimeNet++Loss objective=Energy Loss Only2021.06 | — | 0.654 | |
| SchNetLoss objective=Energy Loss Only2021.06 | — | 0.703 |