2022-07-19 Protein-ligand benchmarks meeting notes

Participants

Goals

• DD : fah-alchemy - current board status

  • fah-alchemy : Phase 1 - MVP

  • 6 weeks out from 9/1 deadline for biopolymer benchmarking

• JC : advantages of using data across transformation runs for DG calculation vs. treating them as separate samples

• DD : protein-ligand-benchmark - 0.3.0 update

  • we’re currently stalled on #52; recommendations for next steps?

    • IA: metadata requirements + fixing caps?

• MH : ProtocolSettings taxonomy update

• DS : Storage and serialization update

• DD : Request rework of Milestones and Deadlines with DN to reflect current state, forward milestones

Discussion topics

Action items

Decisions