Supported Applications
RDKit
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Description
a collection of cheminformatics and machine-learning software written in C++ and Python.
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Installation
Use the following command to install this title with the CLI client:$ sbgrid-cli install rdkit
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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
RDKit: Open-source cheminformatics. https://www.rdkit.org
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Keywords
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Default Versions
Linux 64:  2022.09.1
OS X INTEL:  2022.09.1 -
Other Versions
Linux 64:
2022.03.5 -
OS X INTEL:
2022.03.5
Developers
Greg Landrum