S2EF on Open Catalyst S2EF 2020 (ID)
0.0269Force MAESpinConv (force-centric)
Evaluation results
| Method | Links | ||
|---|---|---|---|
| SpinConv (force-centric)Loss objective=Energy and Force Loss2021.06 | 0.0269 | 0.261 | |
| ForceNet-largeLoss objective=Force Loss Only2021.06 | 0.0278 | — | |
| DimeNet++-largeLoss objective=Force Loss Only2021.06 | 0.0281 | — | |
| SpinConv (energy-centric)Loss objective=Force Loss Only2021.06 | 0.0309 | — | |
| ForceNetLoss objective=Force Loss Only2021.06 | 0.0313 | — | |
| DimeNet++Loss objective=Force Loss Only2021.06 | 0.0331 | — | |
| SpinConv (energy-centric)Loss objective=Energy and Force Loss2021.06 | 0.0358 | 0.351 | |
| SchNetLoss objective=Force Loss Only2021.06 | 0.0443 | — | |
| DimeNet++Loss objective=Energy and Force Loss2021.06 | 0.0443 | 0.486 | |
| SchNetLoss objective=Energy and Force Loss2021.06 | 0.0493 | 0.443 | |
| MedianLoss objective=Baseline2021.06 | 0.0809 | 2.043 | |
| DimeNet++Loss objective=Energy Loss Only2021.06 | — | 0.359 | |
| SchNetLoss objective=Energy Loss Only2021.06 | — | 0.395 |