An Imbalance in the Force: The Need for Standardized Benchmarks for Molecular Simulation

Kristian Kríz, Lisa Schmidt, Alfred T. Andersson, Marie-Madeleine Walz, David van der Spoel. An Imbalance in the Force: The Need for Standardized Benchmarks for Molecular Simulation. Journal of Chemical Information and Computer Sciences, 63(2):412-431, January 2023. [doi]

Abstract

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