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formation-energy-on-aspirin

Atomistic DescriptionFormation Energy
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PaperCodeMAEModelNameReleaseDate
EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations14.36Allegro2023-10-03
EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations13.79MACE2023-10-03
EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations12.63BOTNet2023-10-03
EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations9.27NequIP2023-10-03
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