Name		Name	Last commit message	Last commit date
.github/workflows		.github/workflows
docs		docs
examples		examples
includes		includes
xBFreE		xBFreE
.gitattributes		.gitattributes
.gitignore		.gitignore
CODE_OF_CONDUCT.md		CODE_OF_CONDUCT.md
CONTRIBUTING.md		CONTRIBUTING.md
LICENSE		LICENSE
README.md		README.md
changes.md		changes.md
mkdocs.yml		mkdocs.yml
setup.cfg		setup.cfg
setup.py		setup.py
versioneer.py		versioneer.py

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xBFreEnergy

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xBFreE is a powerful and versatile tool for computing the Binding Free Energies using a variety of methods across popular Molecular Dynamics programs

amber ambertools charmm energy-calculations gmx-mmgbsa gmx-mmpbsa gromacs md-simulations mmgbsa mmpbsa namd

GPL-3.0 license

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