S2EF on Open Catalyst S2EF 2020 (OOD Ads.)
0.0277Force MAESpinConv (force-centric)
Evaluation results
| Method | Links | ||
|---|---|---|---|
| SpinConv (force-centric)Loss objective=Energy and Force Loss2021.06 | 0.0277 | 0.275 | |
| ForceNet-largeLoss objective=Force Loss Only2021.06 | 0.0283 | — | |
| DimeNet++-largeLoss objective=Force Loss Only2021.06 | 0.0289 | — | |
| ForceNetLoss objective=Force Loss Only2021.06 | 0.032 | — | |
| SpinConv (energy-centric)Loss objective=Force Loss Only2021.06 | 0.0321 | — | |
| DimeNet++Loss objective=Force Loss Only2021.06 | 0.0341 | — | |
| SpinConv (energy-centric)Loss objective=Energy and Force Loss2021.06 | 0.0374 | 0.367 | |
| DimeNet++Loss objective=Energy and Force Loss2021.06 | 0.0458 | 0.47 | |
| SchNetLoss objective=Force Loss Only2021.06 | 0.0469 | — | |
| SchNetLoss objective=Energy and Force Loss2021.06 | 0.0527 | 0.491 | |
| MedianLoss objective=Baseline2021.06 | 0.0801 | 2.42 | |
| DimeNet++Loss objective=Energy Loss Only2021.06 | — | 0.402 | |
| SchNetLoss objective=Energy Loss Only2021.06 | — | 0.446 |