OpenFreeEnergy / pontibus

Experimental OpenFE Protocols for Force Field Evaluation
MIT License
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Merge `develop` branch into `main` #1

Closed IAlibay closed 1 month ago

IAlibay commented 1 month ago

Alpha code merge.

Take-aways:

  1. Pontibus now "works" in a limited capacity.
  2. There will be developer API changes, but the top level user experience is unlikely to change.
  3. There are some known issues which need to be debugged.