Supported Applications

RDKit

Description

a collection of cheminformatics and machine-learning software written in C++ and Python.
Installation
Use the following command to install this title with the CLI client: $ sbgrid-cli install rdkit
Citation Note
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
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     RDKit: Open-source cheminformatics. https://www.rdkit.org
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