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torchmd/torchmd: v1.1.1

20260 citationsOthergreen Open Access

Authors

Stefan Doerr · Acellera (Spain)

Gianni De Fabritiis · Pompeu Fabra University

Antonio Mirarchi

Maciej Majewski

Saurav Maheshkar · GTx (United States)

Martin Buttenschoen

Raul · Universidad Autónoma de Madrid

Abstract

End-To-End Molecular Dynamics (MD) Engine using PyTorch

Topics & Keywords

Publication Details

Published in: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.18174240

torchmd/torchmd: v1.1.1 | Researchclopedia