Cheminformatics

Cheminformatics

RDKit , RDKit conda-forge , RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python.

OpenBabel , OpenBabel conda-forge , A chemical toolbox designed to speak the many languages of chemical data.

awesome-cheminformatics

Python for chemoinformatics

https://github.com/joofio/py4chemoinformatics

https://github.com/Mishima-syk/py4chemoinformatics

Practical Cheminformatics With Open Source Software