Auto3D: Automatic Generation of the Low-Energy 3D Structures with ANI Neural Network Potentials | OpenReview

Auto3D: Automatic Generation of the Low-Energy 3D Structures with ANI Neural Network Potentials

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Zhen Liu, Tetiana Zubatiuk, Adrian Roitberg, Olexandr Isayev

Published: 28 Nov 2022, Last Modified: 22 Jan 2026Journal of Chemical Information and ModelingEveryoneRevisionsBibTeXCC BY-SA 4.0

External IDs:doi:10.1021/acs.jcim.2c00817

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