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OpenForceField

  • Description

    is a Python toolkit for the development and application of modern molecular mechanics force fields, leveraging direct chemical perception and rigorous statistical parameterization methods. It provides tools for utilizing SMIRKS Native Open Force Field (SMIRNOFF) force fields. The toolkit also includes capabilities for direct chemical environment perception and manipulation, aiding in the accurate representation of molecular systems.

  • Usage

    To list all executables provided by OpenForceField, 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
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