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Missing rdkit package in requirements.txt #255

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samtsevich opened this issue May 6, 2024 · 1 comment
Closed

Missing rdkit package in requirements.txt #255

samtsevich opened this issue May 6, 2024 · 1 comment

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@samtsevich
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Hi Qiang,

There is missing rdkit library in the requirements.txt file – that should be there.
@qzhu2017
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qzhu2017 commented May 6, 2024

@samtsevich
rdkit is needed only when people want to use smiles string for generating molecular crystals

https://pyxtal.readthedocs.io/en/latest/Usage.html#pyxtal-molecule-pyxtal-molecule

@qzhu2017 qzhu2017 closed this as completed May 6, 2024
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@samtsevich @qzhu2017