a collection of cheminformatics and machine-learning software written in C++ and Python.
InstallationUse the following command to install this title with the CLI client:
$ sbgrid-cli install rdkit
Please cite as shown below. In addition, please include the DOI for the version of the RDKit you used in your work. You can look these up here: https://doi.org/10.5281/zenodo.591637
RDKit: Open-source cheminformatics. https://www.rdkit.org
OS X INTEL:2022.03.5