Metadata-Version: 2.4
Name: rs-valdo
Version: 0.0.6
Summary: Vae assisited ligand discovery for crystallographic fragment screening
Home-page: https://github.com/Hekstra-Lab/drug-screening
Author: Phyllis Zhang, Minhuan Li
Author-email: phylliszhang@college.harvard.edu, minhuanli@g.harvard.edu
License: MIT
Requires-Python: >=3.10
Requires-Dist: torch>=1.13.0
Requires-Dist: gemmi<=0.6.7
Requires-Dist: reciprocalspaceship>=0.9.18
Requires-Dist: tqdm
Requires-Dist: scikit-learn
Requires-Dist: pyyaml
Requires-Dist: matplotlib
Dynamic: author
Dynamic: author-email
Dynamic: home-page
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