Formation Energy On Aspirin

MAE

評価結果

このベンチマークにおける各モデルのパフォーマンス結果

モデル名	MAE	Paper Title	Repository
BOTNet	12.63	EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations	-
Allegro	14.36	EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations	-
MACE	13.79	EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations	-
NequIP	9.27	EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations	-

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