forcefield topic
openff-toolkit
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
ParaMol
A Package for Parametrization of Molecular Mechanics Force Fields
cmiles
Generate canonical molecule identifiers for quantum chemistry database
openff-evaluator
A physical property evaluation toolkit from the Open Forcefield Consortium.
openff-fragmenter
Fragment molecules for quantum mechanics torsion scans
openff-interchange
A project (and object) for storing, manipulating, and converting molecular mechanics data.
torsionfit
Bayesian tools for fitting molecular mechanics torsion parameters to quantum chemical data.
open3spn2
An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM