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SBGridTV

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 Copy to clipboard
  • 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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