A curated list of Cheminformatics libraries and software.

632

last month

awesomeawesome-listbioinformatics

Universal cheminformatics toolkit, utilities and database search tools

C++270apache-2.0

2 months ago

bingocheminformaticschemistry

Graph-based molecule modeling toolkit for cheminformatics

Julia183mit

2 months ago

cheminformaticschemistrygraph

chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Mach

R12gpl-3.0

12 months ago

A cheminformatics extension for the SQLAlchemy database toolkit.

Python37other

last year