Stakeholders for System Object

Owned by Matt Thompson
Last updated: Apr 09, 2020
1 min read

 

  • OpenFF team

    • Matt Thompson

      • Lead System Object developer, Former Cummings group member and former lead GMSO developer

    • John Chodera

    • Michael Shirts

      • InterMol developer

    • Jeff Wagner

  • Cummings Group / MosDeF

    • Peter Cummings: lead of MosDeF, interested in generalizing the MosDeF capability, which a general system object could do.

    • Alex Yang: Former McCabe student and GMSO developer

      • has a full-time job but could provide some insight

    • Umesh Timalsina: Current GMSO developer, CS background

    • Ray Matsumoto: Cummings group student, GMSO developer

    • Co Quach: Cummings & McCabe student, GMSO developer

    • Other potential downstream stakeholders from the MoSDeF ecosystem

      • Ryan Defever/Ed Maginn - Cassandra Monte Carlo engine

      • Josh Anderson/Sharon Glotzer - HOOMD MD/HPMC engine

  • OpenMM

    • Peter Eastman has thought a lot about a system object, and designed the OpenMM data structure

  • AMBER community

    • David Case

      • Leads AMBER community long time commitment to interoperability interested in interoperability

    • Jason Swails

      • Lead ParmEd developer, now works other places but may be available to help design/comment.

  • MolSSI

    • Daniel Smith:

      • Leaving, but knows about history of MolSSI efforts in interoperability

    • Levi Naden:

      • Most relevant current person for interoperability at MolSSI

  • OpenKIM

  • OpenEye

    • Chris Bayly and Gaetano Calabro: Rely on ParmEd, and are worried for the future

  • Others:

    • Christoph Klein

      • Helped develop InterMol, likely to be able to give some comments

    • LAMMPS community?