S2EF-Total on OC22 S2EF-Total ID (val)
343Energy 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 | 343 | 24.42 | |
| eSCNTraining Set=OC22, Linear reference=false, Number of parameters=200M2023.06 | 350 | 23.8 | |
| GemNet-OCTraining Set=OC22, Linear reference=true, Number of parameters=39M2023.06 | 357 | 30 | |
| EquiformerV2Training Set=OC22, Linear reference=false, Number of parameters=122M, Energy coefficient (lambda_E)=4, Force coefficient (lambda_F)=1002023.06 | 433 | 22.88 | |
| GemNet-OCTraining Set=OC22 + OC20, Linear reference=true, Number of parameters=39M2023.06 | 464 | 27 | |
| GemNet-OCTraining Set=OC22, Linear reference=false, Number of parameters=39M2023.06 | 545 | 30 |