aiqm/torchani: TorchANI 2.9.0

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

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Authors: Ignacio Pickering, Gao, Xiang, Jinze Xue, Farhad Ramezanghorbani, Kate Huddleston, Nick Terrel, Kevin Ryan, Rocco Meli, Roman Zubatyuk, yangyinuo823, h-vetinari, akkamesh
+5 more Nan Xu, Jeongseok (JS) Lee, Janan Zhu, Christian Devereux, Alon Grinberg Dana
DOI: 10.5281/zenodo.17577906
Cited by: 0

Abstract

What's Changed Revert results clearing by @IgnacioJPickering in https://github.com/aiqm/torchani/pull/691 Revert results clearing and use a more robust implementation of stress calculation for ASE Full Changelog: https://github.com/aiqm/torchani/compare/2.8.6...2.9.0

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
4 September 2026