A curated list of Cheminformatics libraries and software.

667

8 months ago

awesomeawesome-listbioinformatics

Universal cheminformatics toolkit, utilities and database search tools

C++316apache-2.0

18 hours ago

bingocheminformaticschemistry

Graph-based molecule modeling toolkit for cheminformatics

Julia193mit

4 months ago

cheminformaticschemistrygraph

A cheminformatics extension for the SQLAlchemy database toolkit.

Python38other

2 years ago

chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Mach

R14gpl-3.0

2 years ago