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Supported Applications

OpenFreeEnergy

  • Description

    is a Python package for executing alchemical free energy calculations.

  • Usage

    To list all executables provided by OpenFreeEnergy, run: $ sbgrid-list open-free-energy Copy to clipboard

  • Installation

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

  • Citation Note

    Please cite the following URL: https://github.com/OpenFreeEnergy/openfe

  • Keywords

    Drug Discovery

  • Default Versions

    Linux 64:  1.7.0 (12.5 GB)
    OS X INTEL:  1.7.0 (4.3 GB)

  • Other Versions

      Linux 64:

      1.6.0 (5.2 GB) , 1.6.1 (5.1 GB)

    • OS X INTEL:

      1.6.0 (4.4 GB) , 1.6.1 (4.2 GB)

  • Developers

    Mike Henry, Joshua Horton, David L. Mobley, Hannah Baumann, Irfan Alibay, James R. Baggs Eastwood, Alyssa Travitz

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