PyRank

Molecular Fingerprints Python Packages

Python packages with the GitHub topic molecular-fingerprints. Sorted by monthly downloads, with stars and forks.
ecrl
padelpy

Python API for PaDEL-Descriptor molecular descriptor and fingerprint calculation

76K 233 40
lucinamay
biosynfoni

a *biosynformatic* fingerprint to explore natural product distance and diversity

296 25 5
ecrl
alvadescpy

A Python wrapper for alvaDesc software

264 10 4
jeffrichardchemistry
pyadaqsar

A cheminformatics package to perform Applicability Domain of molecular fingerprints based in similarity calculation.

150 29 10
Cognitive-Chemistry-Labs
padelpy2

Python wrapper for PaDEL-Descriptor, enabling fast calculation of molecular descriptors and fingerprints from RDKit molecules, with results as pandas DataFrames.

112 2 0