BranniganLab / safep

Tools for Analyzing and Debugging (SA)FEP calculations. See also the SAFEP Tutorial: https://github.com/jhenin/SAFEP_tutorial/tree/main Documentation: https://safep-alchemy.readthedocs.io/en/latest/
GNU Lesser General Public License v2.1
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Sort through BatchProcessDraft (stale branch) #43

Open EzryStIago opened 5 months ago

EzryStIago commented 5 months ago

I think there are some useful bits in here, but it's gone very stale and had a lot of mission creep.