RDKit experiments, tips, and tutorials

The primary author of this blog is Greg Landrum.

The repo with the original Jupyter notebooks and data for this blog is here

The hub for information about the RDKit is rdkit.org

If you’re an Anaconda Python user, installing the RDKit is as simple as conda install -c conda-forge rdkit

You can also install the RDKit from PyPi: pip install rdkit-pypi

Professional support and services for the RDKit are provided by T5 Informatics GmbH.

Contact us if you are interested in RDKit support.