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[DNM] Add AlchemicalArchive extraction#486

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ianmkenney wants to merge 11 commits into
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feat/extract_archive
Open

[DNM] Add AlchemicalArchive extraction#486
ianmkenney wants to merge 11 commits into
mainfrom
feat/extract_archive

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@ianmkenney

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closes #246

@dotsdl

dotsdl commented Mar 16, 2026

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Awaiting new gufe release featuring AlchemicalArchive before we merge.

@dotsdl

dotsdl commented Apr 8, 2026

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@ianmkenney would you like me to continue on this one? Otherwise happy to leave it to you!

@ianmkenney

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@dotsdl you can take over if you'd like

@dotsdl

dotsdl commented Apr 10, 2026

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Can do! Thanks for all your work on this! Will ask you for a review once I'm finished!

@dotsdl dotsdl self-assigned this Apr 10, 2026
dotsdl and others added 4 commits June 10, 2026 17:29
Add AlchemiscaleClient.get_network_archive / get_network_archives, which
bundle an AlchemicalNetwork with all successful ProtocolDAGResults for its
Transformations into a gufe AlchemicalArchive, with optional user-supplied
metadata. Not-found networks yield None.

Implemented client-side atop the existing get_network and
get_transformation_results machinery, replacing the abandoned server-side
/bulk/networks/archive endpoint (which referenced undefined names and a
non-existent statestore method). Also fixes a missing `json` import in
client.py and restores pdr_from_bytes in utils.py (zstd import + decode
fallback).

Closes #246

Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
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codecov Bot commented Jul 5, 2026

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 80.77%. Comparing base (0939a1f) to head (180e6d8).

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #486      +/-   ##
==========================================
+ Coverage   80.54%   80.77%   +0.23%     
==========================================
  Files          31       31              
  Lines        4877     4911      +34     
==========================================
+ Hits         3928     3967      +39     
+ Misses        949      944       -5     

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Add AlchemiscaleClient method for producing archival-quality extracts of AlchemicalNetworks and their existing results

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