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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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Notebook tweaks #27

Closed janosh closed 1 year ago

janosh commented 1 year ago

54e36c2 mv examples/{CHGNet_examples,basics}.ipynb 60ddfa2 clean up crystaltoolkit_relax_viewer.ipynb 7e65392 bump ruff