S2EF on Open Catalyst S2EF 2020 (OOD Cat.)
0.0285Force MAESpinConv (force-centric)
Evaluation results
| Method | Links | ||
|---|---|---|---|
| SpinConv (force-centric)Loss objective=Energy and Force Loss2021.06 | 0.0285 | 0.35 | |
| ForceNet-largeLoss objective=Force Loss Only2021.06 | 0.0309 | — | |
| DimeNet++-largeLoss objective=Force Loss Only2021.06 | 0.0312 | — | |
| SpinConv (energy-centric)Loss objective=Force Loss Only2021.06 | 0.0315 | — | |
| ForceNetLoss objective=Force Loss Only2021.06 | 0.0331 | — | |
| DimeNet++Loss objective=Force Loss Only2021.06 | 0.034 | — | |
| SpinConv (energy-centric)Loss objective=Energy and Force Loss2021.06 | 0.0364 | 0.411 | |
| DimeNet++Loss objective=Energy and Force Loss2021.06 | 0.0444 | 0.533 | |
| SchNetLoss objective=Force Loss Only2021.06 | 0.0459 | — | |
| SchNetLoss objective=Energy and Force Loss2021.06 | 0.0508 | 0.529 | |
| MedianLoss objective=Baseline2021.06 | 0.0787 | 1.992 | |
| DimeNet++Loss objective=Energy Loss Only2021.06 | — | 0.506 | |
| SchNetLoss objective=Energy Loss Only2021.06 | — | 0.551 |