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xiaoruiDong / RDMC

Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.
https://xiaoruidong.github.io/RDMC/
MIT License
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Update Notebook for molecule / xyz conversion #58

Closed xiaoruiDong closed 10 months ago

xiaoruiDong commented 10 months ago

In this PR,