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Participants

Goals

Discussion topics

Item

Presenter

Notes

Mention community manager

DLM

OMSF community manager hired/starting soon; briefly summarize person and role

  • Mark Forster, most recently of Adaptimmune, associate director in Research Data Science

  • Prior extensive experience with scientific computing management, including Hartree Centre; also various roles at Syngenta. Also spent time at Molecular Simulations Inc. (now Biovia) where he led protein application product dev. Long-time open source proponent; broad and deep industry contacts. PhD Chemistry from University of London.

  • Role: Generally building/maintaining OMSF community

    • Internal project communication/synergies between projects

    • External communication so people know what we’re doing (dovetails with fundraising); OMSF website

    • Managing social media channels and forums

    • Events organization

    • Probably some fundraising

    • Funded by CZI

  • Starts late March

Forks in the road

DLM

Please flag major decision points (for roadmap review)

Forcefield benchmarking with small molecule crystal structures

Tobias Huefner

An overview of work using small molecule crystal structures for force field benchmarking

Updates on protein-ligand benchmarking

David Hahn

David Hahn will report the results of some new analysis on the previous protein-ligand benchmarking work

Action items

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Decisions

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