Explore live open-source projects and AI models.

ORB forcefield models from Orbital Materials

The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io

CHARMM and AMBER forcefields for OpenMM (with small molecule support)

No description available from source.

Force fields produced by the Open Force Field Initiative

A package for atom-typing as well as applying and disseminating forcefields

A project (and object) for storing, manipulating, and converting molecular mechanics data.

A physical property evaluation toolkit from the Open Forcefield Consortium.

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Fragment molecules for quantum mechanics torsion scans