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Medicinal Chemistry Python Packages

Python packages with the GitHub topic medicinal-chemistry. Sorted by relevance, with stars and monthly downloads.
datamol-io
datamol

Molecular Processing Made Easy.

62K 534 62
frequencykg
bbb-calculator

Implements the blood brain barrier score described in: J. Med. Chem. 2019, 62, 21, 9824-9836 (https://doi.org/10.1021/acs.jmedchem.9b01220)

95 14 5
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