S2EF-Total on OC22 S2EF-Total OOD (test)
659.8Energy MAE (meV)EquiformerV2
Evaluation results
| Method | Links | ||
|---|---|---|---|
| EquiformerV2Training Set=OC22, Linear reference=false, Number of parameters=122M, Energy coefficient (lambda_E)=4, Force coefficient (lambda_F)=1002023.06 | 659.8 | 32.65 | |
| EquiformerV2Training Set=OC22, Linear reference=false, Number of parameters=122M, Energy coefficient (lambda_E)=1, Force coefficient (lambda_F)=12023.06 | 677.4 | 35.57 | |
| GemNet-OCTraining Set=OC22 + OC20, Linear reference=true, Number of parameters=39M2023.06 | 689 | 34.2 | |
| GemNet-OCTraining Set=OC22, Linear reference=false, Number of parameters=39M2023.06 | 829 | 39.6 |