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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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Add `CHGNet.todict` method needed for ASE JSON serialization #49

Closed janosh closed 1 year ago

janosh commented 1 year ago

Closes #48.

BowenD-UCB commented 1 year ago

Thanks for implement this!