2023-05-30 alchemiscale working group meeting notes

Participants

alchemiscale.org user group
- user questions / issues / feature requests
- compute resources status
- call for new users
User stories review - gap analysis
JC : extends support in RelativeHybridTopologyProtocol and NonEquilibriumCyclingProtocol
IA : benchmarking results for OpenFF 2.1 vs. 2.0
- p38 discrepancy; conclusions?
DD : OMSF Symposium retrospective
- appears to be interest from industry players; how best to engage to maximize impact vs. effort?
- academic users interested in their own deployments?
IP : Protein-ligand benchmarks repo
- Ken updates/discussion on current state
- IP updates on new task force group
alchemiscale development sprints: begins tomorrow, spans 5/31 - 6/12
- architecture overview : https://drive.google.com/file/d/1ZA-zuqrhKSlYBEiAIqxwNaHXvgJdlOkT/view?usp=share_link
- alchemiscale 0.1.3 milestone:
- alchemiscale 0.2.0 milestone:
- coordination board : alchemiscale : Phase 2 - User Feedback and Documentation
- updates on In Review, In Progress, and Available cards
- create/nominate new cards for inclusion in this sprint

Item	Presenter	Notes