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Pull requests: OpenFreeEnergy/alchemiscale

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Pull requests list

Update test and deployment envs to latest pinned dependencies
#499 opened Apr 9, 2026 by dotsdl Member Loading…
[WIP] Implement AsynchronousComputeService
#489 opened Mar 16, 2026 by ianmkenney Member Loading…
1
[DNM] Add AlchemicalArchive extraction
#486 opened Feb 4, 2026 by ianmkenney Member Loading…
1
@dotsdl
4
Add get_task_tracebacks method to expose stored tracebacks for Tasks
#482 opened Jan 19, 2026 by dotsdl Member Loading…
2 of 3 tasks
1
Close issue #195
#479 opened Jan 10, 2026 by dotsdl Member Loading…
1
Draft pull request for issue 295
#478 opened Jan 9, 2026 by dotsdl Member Loading…
1
Address issue #222
#477 opened Jan 9, 2026 by dotsdl Member Loading…
1
15
[WIP] Adds ComputeServiceID form enforcement
#467 opened Dec 10, 2025 by dotsdl Member Loading… Release 0.8.0 - compute introspection and user experience
Doc updates from review with @atravitz
#461 opened Nov 19, 2025 by dotsdl Member Loading…
1
[WIP] API enforced number of TaskHub actioned tasks and number of waiting tasks per Transformation
#457 opened Nov 17, 2025 by ianmkenney Member Loading… Release 0.8.0 - compute introspection and user experience
1
Allow server-side copying and merging of AlchemicalNetworks
#433 opened Sep 16, 2025 by ianmkenney Member Loading…
1
@dotsdl
1
Add espaloma_charge and nagl
#274 opened May 7, 2024 by mikemhenry Collaborator Loading…
1
install latest openfe and gufe as a canary to catch upstream changes
#204 opened Nov 20, 2023 by mikemhenry Collaborator Loading…
5
[doc] docker compose plugin to newest version
#183 opened Sep 26, 2023 by mikemhenry Collaborator • Draft
1
build and test all images, add apptainer
#170 opened Aug 23, 2023 by mikemhenry Collaborator • Draft
2
bump to new version of sphinx
#169 opened Aug 22, 2023 by mikemhenry Collaborator Loading…
7
[WIP] Adding TaskProvenance usage to compute execution and results
#114 opened Apr 4, 2023 by dotsdl Member Loading…
1
[WIP] Result path conversion and upload to object store
#104 opened Mar 24, 2023 by dotsdl Member Loading…
1
@dotsdl
1
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