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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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Hashable edges #87

Closed janosh closed 10 months ago

janosh commented 10 months ago

d0aa03b make DirectedEdge and UndirectedEdge inherit from new Edge abstract base class, make them hashable, handle missing info['image'] gracefully in DirectedEdge.__eq__ cffaa6b check (Un)directedEdge is hashable in test_(un)directed_edge