TorchMD: A Deep Learning Framework for Molecular Simulations

Doerr, Stefan, Majewski, Maciej, Pérez, Adrià, Krämer, Andreas, Clementi, Cecilia, Noe, Frank, Giorgino, Toni, De Fabritiis, Gianni·2021·Journal of Chemical Theory and Computation
DOI 10.1021/acs.jctc.0c01343

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