TODO: Build Atom Mapper Package - Githubissues

OpenFreeEnergy / kartograf

This package contains tools for setting up hybrid-topology FE calculations

https://kartograf.readthedocs.io/

MIT License

25 stars 3 forks source link

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