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EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations.

Vaibhav BihaniUtkarsh PratiushSajid MannanTao DuZhimin ChenSantiago MiretMatthieu MicoulautMorten M. SmedskjaerSayan RanuN. M. Anoop Krishnan
Published in: CoRR (2023)
Keyphrases