Participants
Goals
alchemiscale.org
user questions / issues / feature requests
compute resources status
current stack versions:
alchemiscale
: 0.2.1gufe
: 0.9.4openfe
: 0.13.0perses
:protocol-neqcyc
openmmforcefields
: 0.12.0
deployment updates
working to deploy
openfe
0.14.0 andgufe
0.9.5 this week; was aiming for last week but failed to get it in
compute expansion opportunities?
JC :
protein-ligand-benchmark
Discussion topics
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Action items
- David Dotson will update
alchemiscale.org
stack to useopenfe
0.14.0,gufe
0.9.5
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