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ResearchFormerly WizWand

IS2RE-Total on OC22 IS2RE-Total OOD (test)

1,440Energy MAE (meV)EquiformerV2
1,434.241,473.121,5121,550.88Jun 21, 2023
Updated 8mo ago

Evaluation results

MethodLinks
EquiformerV2Training Set=OC22, Linear reference=false, Number of parameters=122M, Energy coefficient (lambda_E)=4, Force coefficient (lambda_F)=1002023.061,440
EquiformerV2Training Set=OC22, Linear reference=false, Number of parameters=122M, Energy coefficient (lambda_E)=1, Force coefficient (lambda_F)=12023.061,444
GemNet-OCTraining Set=OC22 + OC20, Linear reference=true, Number of parameters=39M2023.061,534
GemNet-OCTraining Set=OC22, Linear reference=false, Number of parameters=39M2023.061,584