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OpenFreeEnergy
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kartograf
This package contains tools for setting up hybrid-topology FE calculations
https://kartograf.readthedocs.io/
MIT License
24
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TODO: Build Atom Mapper Package
#1
Closed
RiesBen
closed
1 year ago
RiesBen
commented
1 year ago
everything an installable package needs
Depends on OpenFE integration as well.
pypi installer
conda?
docs?
tests
everything an installable package needs