PyRank

Cheminformatics And Compchem Python Packages

Python packages with the GitHub topic cheminformatics-and-compchem. Sorted by monthly downloads, with stars and forks.
ThomasCsson
massivechem

MASSIVEChem is a pip-installable package centred around mass spectrometry

1K 17 1
JelfsMaterialsGroup
stko

A collection of molecular optimisers and property calculators for use with stk.

1K 24 12
ThomasCsson
cheminterface-ppchem

MASSIVEChem is a pip-installable package centred around mass spectrometry

229 17 1