Participants
Meghan Osato
Jenke Scheen
Levi Naden
Goals
alchemiscale.org
user groupuser questions / issues / feature requests
DD : hif2a issues resolved?
MO : ambertools charging issue
JS :
asap-alchemy
analysis of results fromalchemiscale
execution
compute resources status
current stack versions:
alchemiscale
: 0.2.1gufe
: 0.9.4openfe
: 0.13.0perses
:protocol-neqcyc
openmmforcefields
: 0.11.2
alchemiscale
development : current sprint spans 10/11 - 10/23architecture overview : https://drive.google.com/file/d/1ZA-zuqrhKSlYBEiAIqxwNaHXvgJdlOkT/view?usp=share_link
coordination board : alchemiscale : Phase 3 - Folding@Home, new features, optimizations, targeted refactors
call for volunteers for available issues
alchemiscale
0.3.0 milestone:alchemiscale-fah
: 0.1.0 milestonereview Completed cards
updates on In Review, In Progress, and Available cards
IP :
Protein-ligand benchmarks working group update
Protocols migration to
Discussion topics
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Action items
- David Dotson will update deployed environments to use openmmforcefields 0.12.0
- David Dotson will raise issue on
feflow
for creating a Times Square Sampling Protocol
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