The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
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Updated
Jul 27, 2026 - Python
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
Parameter/topology editor and molecular simulator
A project (and object) for storing, manipulating, and converting molecular mechanics data.
CHARMM and AMBER forcefields for OpenMM (with small molecule support)
Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.
OFFICIAL: AnteChamber PYthon Parser interfacE
Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196
Force fields produced by the Open Force Field Initiative
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