The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
molecular-dynamics
openmm
amber
force-fields
molecular-mechanics
forcefield
chemical-environment-perception
smirnoff-force-field
nsf-grant-che-1738979
forcefield-parameterization
open-force-field-consortium
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Updated
Nov 26, 2024 - Python