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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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cleanup graph classes #12

Closed lbluque closed 1 year ago

lbluque commented 1 year ago

Some minor refactoring and cleanup for graph classes to improve code readability.