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isayevlab / Auto3D_pkg

Auto3D generates low-energy conformers from SMILES/SDF
MIT License
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Adds Python package entrypoint for the CLI #78

Closed j3mdamas closed 6 months ago

j3mdamas commented 6 months ago

Hi @LiuCMU,

Here is the PR related with #77

Feel free to edit or adjust my PR.

Best, João