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ResearchFormerly WizWand

Structure to Energy and Forces on OC20 S2EF (test)

219Energy MAE (meV)EquiformerV2
206.16292.83379.5466.17Jun 21, 2023
Updated 8mo ago

Evaluation results

MethodLinks
EquiformerV2Training set=OC20 S2EF-All+MD, Number of parameters=153M, lambda_E=42023.0621914.2
EquiformerV2Training set=OC20 S2EF-All+MD, Number of parameters=153M, lambda_E=22023.0622713.8
eSCN L=6 K=20Training set=OC20 S2EF-All+MD, Number of parameters=200M2023.0622815.6
EquiformerV2Training set=OC20 S2EF-All+MD, Number of parameters=31M, lambda_E=42023.0622815.5
EquiformerV2Training set=OC20 S2EF-All, Number of parameters=153M, lambda_E=22023.0622914.8
GemNet-OC-L-ETraining set=OC20 S2EF-All+MD, Number of parameters=56M2023.0623021
GemNet-OCTraining set=OC20 S2EF-All, Number of parameters=39M2023.0623320.7
GemNet-OC-L-FTraining set=OC20 S2EF-All+MD, Number of parameters=216M2023.0624119
GemNet-dTTraining set=OC20 S2EF-All, Number of parameters=32M2023.0629224.2
SpinConvTraining set=OC20 S2EF-All, Number of parameters=8.5M2023.0633629.7
DimeNet++-L-F+ETraining set=OC20 S2EF-All, Number of parameters=10.7M2023.0648031.3
SchNetTraining set=OC20 S2EF-All, Number of parameters=9.1M2023.0654054.7