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gufe
Public- The Open Free Energy toolkit
kartograf
PublicThis package contains tools for setting up hybrid-topology FE calculationsstratocaster
Publicopenfe-gromacs
Publicopenfe_analysis
Publicalchemiscale
Publicopenfreeenergy.github.io
Publickonnektor
PublicAlgorithms for various Network Layouts and Tooling for planning FE CalculationsLomap
Publicofe-sphinx-theme
Publicalchemiscale.org-site
Publicpontibus
Publicprotein-ligand-benchmark
PublicOMSF_workshop2024
Publicopenfe_skunkworks
Publicpdbinf
Publicopenfe-benchmarks
Publicvalidation-benchmarks
Publicexorcist
PublicSeparatedTopologies
Publicopenff-toolkit
PublicThe Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io