Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learningJustin S. Smith, Adrián E. Roitberg|Nature Communications|2019Cited by 650
ANI-1, A data set of 20 million calculated off-equilibrium conformations for organic moleculesJustin S. Smith, Adrián E. Roitberg|Scientific Data|2017Cited by 332
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Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potentialShuhao Zhang, Justin S. Smith, Ryan B. Jadrich et al.|Nature Chemistry|2024Cited by 118