9 projects
amberflow
Python workflow to run Free Energy calculations
procustes
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watpocket
Python bindings for watpocket
ndfes
Companion library to the ndfes C++ program for analyzing umbrella sampling
edgembar
Companion library to the edgembar C++ program for analyzing free energy molecular dynamics simulations
fetkutils
Utility library for the FE-ToolKit project
ligandparam
A ligand parameterization package for Amber
locuaz
Antibody optimization protocol
