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torchmd/torchmd-net: v2.6.2

20260 citationsOthergreen Open Access

Authors

Raul · Universidad Autónoma de Madrid

Philipp Thölke

Stefan Doerr · Acellera (Spain)

Antonio Mirarchi

Gianni De Fabritiis · Universitat Pompeu Fabra

Peter Eastman · Stanford University

Ruunyox · Rice University

Abstract

Training neural network potentials

Publication Details

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

DOI: 10.5281/zenodo.18759057

torchmd/torchmd-net: v2.6.2 | Researchclopedia

Raimondas Galvelis · AstraZeneca (Brazil)

Bas Veeling · Microsoft (United States)