S2EF-Total on OC22 S2EF-Total OOD (val)
580Energy MAE (meV)EquiformerV2
Evaluation results
| Method | Links | ||
|---|---|---|---|
| EquiformerV2Training Set=OC22, Linear reference=false, Number of parameters=122M, Energy coefficient (lambda_E)=1, Force coefficient (lambda_F)=12023.06 | 580 | 34.31 | |
| EquiformerV2Training Set=OC22, Linear reference=false, Number of parameters=122M, Energy coefficient (lambda_E)=4, Force coefficient (lambda_F)=1002023.06 | 629 | 30.7 | |
| eSCNTraining Set=OC22, Linear reference=false, Number of parameters=200M2023.06 | 789 | 35.7 | |
| GemNet-OCTraining Set=OC22 + OC20, Linear reference=true, Number of parameters=39M2023.06 | 859 | 34 | |
| GemNet-OCTraining Set=OC22, Linear reference=false, Number of parameters=39M2023.06 | 1,011 | 40 | |
| GemNet-OCTraining Set=OC22, Linear reference=true, Number of parameters=39M2023.06 | 1,057 | 40 |