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lanl / hippynn

python library for atomistic machine learning
https://lanl.github.io/hippynn/
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add functionality for writing ANI h5 files #69

Closed lubbersnick closed 2 months ago

lubbersnick commented 2 months ago

This would be useful for https://github.com/lanl/ALF

bnebgen-LANL commented 2 months ago

Closed by #70

lubbersnick commented 2 months ago

Thanks!