7 projects
ligandparam
A ligand parameterization package for Amber
amberflow
Python workflow to run Free Energy calculations
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
locuaz
Antibody optimization protocol
