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Author:
None
Summary:
Python workflow to run Free Energy calculations
Latest version:
0.8.0
Required dependencies:
attrs
|
biopython
|
chemfiles
|
edgembar
|
hatch
|
ligandparam
|
mdanalysis
|
networkx
|
numpy
|
parmed
|
pdbfixer
|
pydot
|
pyyaml
|
rdkit
|
scipy
|
typing-extensions
|
zstandard
Optional dependencies:
boto3
|
fastmcp
|
furo
|
myst-parser
|
plotly
|
prolif
|
pytest-xdist
|
ruff
|
scipy-stubs
|
sphinx
|
sphinx-autobuild
|
sphinx-automodapi
|
sphinx-copybutton
|
sphinx-inline-tabs
|
sphinx-rtd-theme
|
watpocket
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