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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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Use `MaterialsProject2020Compatibility(check_potcar=False)` in `fine_tuning.ipynb` #45

Closed janosh closed 1 year ago

janosh commented 1 year ago

We can update the "Extras 1: GGA / GGA+U compatibility" section in fine_tuning.ipynb by calling MaterialsProject2020Compatibility(check_potcar=False) once https://github.com/materialsproject/pymatgen/pull/3143 is merged.

janosh commented 1 year ago

Closed in #46.