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OpenForceField Toolkit

  • Description

    a Python toolkit for the development and application of modern molecular mechanics force fields, leveraging direct chemical perception and rigorous statistical parameterization methods.

  • Usage

    To list all executables provided by OpenForceField Toolkit, run: $ sbgrid-list open-force-field Copy to clipboard

  • Installation

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

  • Keywords

    Computational Chemistry

  • Default Versions

    Linux 64:  0.17.0 (3.2 GB)
    OS X INTEL:  0.17.0 (3.0 GB)

  • Developers

    Jeff Wagner, Open Force Field Consortium, David L. Mobley, Matt Thompson, John Chodera

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