2023-03-21 Protein-ligand benchmarks meeting notes

Participants

Goals

• DD : sprint retrospective

  • Review Done cards

    • what went well?

    • what didn’t?

    • what do we need to improve our approach?

• DD : next sprint begins tomorrow, spans 3/22 - 4/3

  • architecture overview : https://drive.google.com/file/d/1ZA-zuqrhKSlYBEiAIqxwNaHXvgJdlOkT/view?usp=share_link

  • alchemiscale 0.1.0 milestone

  • coordination board : alchemiscale : Phase 1 - MVP

  • updates on In Review, In Progress, and Available cards

  • create/nominate new cards for inclusion in this sprint

  • will post on #free-energy-benchmarking when next sprint is finalized

• DD : demonstration of compute service running on vulkan, performing NEQ Cycling via perses; alchemiscale client workflow

Discussion topics

Action items

Decisions