CederGroupHub / chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
https://doi.org/10.1038/s42256-023-00716-3
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Add Python 3.12 to officially supported versions and test in CI #139

Closed janosh closed 4 months ago

janosh commented 4 months ago

motivation: unblock https://github.com/materialsproject/pymatgen/pull/3685