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Published 20 hours ago • verified publisher icon OpenFreeEnergy

Benchmarking of HFE simulations

Open IAlibay opened this issue 2 years ago • 0 comments

We have an HFE protocol, we should benchmark it and make some pretty plots.

Currently WIP:

  • QA data from Mike needs to be analyzed
  • Alchemiscale-generated runs of the freesolv subset is in progress (with the charge fix)

IAlibay avatar Nov 15 '23 11:11 IAlibay