S2EF-Total on OC22 S2EF-Total ID (test)
182.8Energy 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 | 182.8 | 22.98 | |
| EquiformerV2Training Set=OC22, Linear reference=false, Number of parameters=122M, Energy coefficient (lambda_E)=4, Force coefficient (lambda_F)=1002023.06 | 263.7 | 21.58 | |
| GemNet-OCTraining Set=OC22 + OC20, Linear reference=true, Number of parameters=39M2023.06 | 311 | 26.9 | |
| GemNet-OCTraining Set=OC22, Linear reference=false, Number of parameters=39M2023.06 | 374 | 29.4 |