torchmd/torchmd: v1.1.2

Zenodo (CERN European Organization for Nuclear Research) 2026 Open access

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Authors: Stefan Doerr, Gianni De Fabritiis, Antonio Mirarchi, Maciej Majewski, Saurav Maheshkar, Martin Buttenschoen, Raul

DOI: 10.5281/zenodo.18174416

Cited by: 0

Abstract

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