TorchMD: A Deep Learning Framework for Molecular Simulations

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Authors: Stefan Doerr, Maciej Majewski, Adrià Pérez, Andreas Krämer, Cecilia Clementi, Frank Noe, Toni Giorgino, Gianni De Fabritiis

Journal title: Journal of Chemical Theory and Computation

Journal number: 17/4

Journal publisher: American Chemical Society

Published year: 2021

Published pages: 2355-2363

DOI identifier: 10.1021/acs.jctc.0c01343

ISSN: 1549-9618