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OpenFF Collaboration PI Discussion (Internal Notes)

  • MoSDeF looks like not an equal partner but a subordinate.

  • The bigger question is what is our role in collaboration? It looks like our contribution should be less.

  • What OpenFF is doing?

    • Pushing to their code base -> Part of their contribution
  • What we wanted to do?

    • Trying to look into their code base, possible avenues for collaboration and find overlaps between the codebases.
  • A summary of all the meetings we had with OpenFF Team
    https://docs.google.com/document/d/1mB_QddDHtIK0eFK1zAJRTy3l35a_qpE4vvpZHB2o9vM/edit?pli=1#

What's our Plan Next?

  • Find a way to make foyer to create an OpenFF System object.
  • Integrate foyer with gmso.
  • Bigger goal: One forcefield class that handles every format and every system (eventually.).