MLCIL/scikit-fingerprints

Scikit-learn compatible library for molecular fingerprints and chemoinformatics

Why it is useful: Cheminformatics infrastructure repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.

GitHub signals: 376 stars, 33 forks, primary language: Python.
Homepage: https://scikit-fingerprints.readthedocs.io/latest/

Citation: GitHub repository: MLCIL/scikit-fingerprints