IS2RE-Total on OC22 IS2RE-Total (ID) (test)
1.084Energy MAE (eV)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 | 1.084 | |
| EquiformerV2Training Set=OC22, Linear reference=false, Number of parameters=122M, Energy coefficient (lambda_E)=4, Force coefficient (lambda_F)=1002023.06 | 1.119 | |
| GemNet-OCTraining Set=OC22 + OC20, Linear reference=true, Number of parameters=39M2023.06 | 1.2 | |
| GemNet-OCTraining Set=OC22, Linear reference=false, Number of parameters=39M2023.06 | 1.329 |