Button for mobile navigation

Supported Applications


  • Description

    a collection of cheminformatics and machine-learning software written in C++ and Python.

  • Usage

    To list all executables provided by RDKit, run: $ sbgrid-list rdkit Copy to clipboard
  • Installation

    Use the following command to install this title with the CLI client: $ sbgrid-cli install rdkit Copy to clipboard Available operating systems: Linux 64, OS X INTEL
  • 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:

         RDKit: Open-source cheminformatics.
  • Keywords

    Machine Learning, Protein Structure Analysis

  • Default Versions

    Linux 64:  2022.09.1 (1.6 GB)
    OS X INTEL:  2022.09.1 (1.3 GB)

  • Other Versions

      Linux 64:

      2022.03.5 (1.5 GB)
    • OS X INTEL:

      2022.03.5 (1.3 GB)
  • Developers

    Greg Landrum