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Open Force Field 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 Open Force Field 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

  • Webinars

    Open Force Field - Simulating Post-Translationally Modified Proteins with the OpenFF Rosemary Alpha.

    SBGrid webinars are hosted with partial support from the NIH R25 Continuing Education for Structural Biology Mentors #GM151273, in collaboration with Co-PI Jamaine Davis of Belmont University.

    Topic:
    Open Force Field - Simulating Post-Translationally Modified
    Proteins with the OpenFF Rosemary Alpha.

    Josh Mitchell
    Science Communicator, Open Force Field

    Host: Pete Meyer
    Recorded on March 10, 2026

    For more information on Open Force Field:
    https://sbgrid.org/software/titles/open-force-field
    https://openforcefield.org/about/organization

  • Keywords

    Computational Chemistry

  • Default Versions

    Linux 64:  0.18.0 (3.2 GB)
    OS X INTEL:  0.18.0 (2.9 GB)

  • Other Versions

      Linux 64:

      0.17.0 (3.2 GB) , 0.17.1 (7.0 GB)

    • OS X INTEL:

      0.17.0 (3.0 GB) , 0.17.1 (2.9 GB)

  • Developers

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

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