2023-10-09 Meeting notes

2023-10-09 Meeting notes

 Date

Oct 9, 2023

 Participants

  • @Lily Wang

  • @Marcus Wieder

 Goals

  •  

 Discussion topics

Item

Notes

Item

Notes

Timesheets

  • LW – Planned frequency/timing – Karmen’s spread ok?

  •        Jul23  Aug23 Sep23.   Oct23. Nov23  Dec23  Jan24  Feb24 Total
    Effort 0.3    0.3 0.3.    0.5       0.4    0.4    0.4    0.4    3 (edited) 

    • MW – yes – I spend almost my full time on projects related to grant objectives anyway.

  • LW – Last timesheet was ~20% grant admin – anything we can help with there?

    • Grant admin = science meetings, project planning, publications, writing proposals

    • LW will follow up with Karmen on what is actually grant admin

Updates

  • LW – How best to keep science updated – notes? Meetings?

    • Set up initial notes page: NIH QM Datasets Research

    • What would be the best meeting to sync-up on – MolSSI?

      • half an hour per month

      • LW will send out a poll

  • LW – Ideal frequency of updates – monthly?

    • Yes

Other

  • LW – JChodera mentioned ML planning documents in Chodera lab Notion, which was imploding at the time – follow up on that?

  • MW – QCArchive is blocking work on dataset generation. Who would you recommend as primary contact to understand what OpenFF or OpenFE need

    • Ben Pritchard: QCArchive – for infrastructure updates on using QCArchive directly and planned future changes

    • Jeff Wagner: QCSubmit (infrastructure) – for OpenFF workflows with QCArchive. Nearly done, but future QCA changes planned

    • LW: (science) – LW will set up another meeting with Marcus to discuss datasets

    • Irfan Alibay (science lead at OpenFE)

 

 

 Action items

 Decisions