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FAIR-Chem / fairchem Public

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Wrap atom coordinates in ase.Atoms preprocessing#783

Merged

mshuaibii merged 4 commits intomainFAIR-Chem/fairchem:mainfrom aseatoms-pbcFAIR-Chem/fairchem:aseatoms-pbcCopy head branch name to clipboard

Aug 7, 2024

+18-6

Conversation Commits4 (4)Checks Files changed

Commits

Commits on Jul 26, 2024

wrap atom coordinates in ase.Atoms preprocessing.
kyonofx
committed
fix linting.
kyonofx
committed

Commits on Aug 6, 2024

adjust atoms_to_graphs test cases.
kyonofx
committed
Merge branch 'main' into aseatoms-pbc
kyonofx
authored

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