Code for "Force-free molecular dynamics through autoregressive equivariant networks"

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Authors

Fabian Thiemann · Microsoft Research (United Kingdom)

Thiago Reschützegger · IBM Research - Brazil

Massimiliano Esposito · IBM Research - United Kingdom

Tseden Taddese

Juan D. Olarte-Plata · Science and Technology Facilities Council

Fausto Martelli · Institute for Complex Systems

Abstract

Snapshot of the code used in the paper:Force-free molecular dynamics through autoregressive equivariant networks Original repository:https://github.com/IBM/trajcast Commit:c52f107a02176671b21a420b2d4c67e0327b04f7 Archived for reproducibility.

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Publication Details

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

DOI: 10.5281/zenodo.19055061

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Code for "Force-free molecular dynamics through autoregressive equivariant networks"

Authors

Abstract

Topics & Keywords

Publication Details