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volkamerlab/maxsmi

maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.

Jupyter NotebookStars 34Forks 4Watchers 34Open issues 11License MIT License
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仓库信息
Ownervolkamerlab
Homepagehttps://maxsmi.readthedocs.io/en/latest/
GitHubhttps://github.com/volkamerlab/maxsmi
Last pushed2024-02-22
Last updated2025-12-15
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