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Releases: xchem/fragalysis-backend

2025.03.1 OSCARS

04 Mar 08:50
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Full Changelog: 2025.02.1...2025.03.1

2025.02.1 OSCARS

27 Feb 08:30
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What's Changed

  • Add ability to collect Job results via the refresh mechanism by @alanbchristie in #715
  • Refactor ComputedSet model to use numeric id rather than name as pk (Issue1552) by @kaliif in #716
  • fix: attribute lookup in new squonk job code by @kaliif in #717
  • Editable comment field in observation quality status (issue 1408) by @kaliif in #718
  • Update day-1-job-override.json by @boriskovar-m2ms in #719
  • Update day-1-job-override.json by @boriskovar-m2ms in #720
  • Improved logging on missing experiments by @kaliif in #721
  • Fixes ownloads failing on missing sdf files (issue 1668) by @kaliif in #722
  • Observation superseding now working (issue 1672) by @kaliif in #723
  • Fix poses without main_observation on superseded observations (issue 1679) by @kaliif in #724
  • Usernames and full names in quality status API response (issue 1408) by @kaliif in #725
  • Push to production by @mwinokan in #726

New Contributors

Full Changelog: 2025.01.1...2025.02.1

2025.01.1 OSCARS

28 Jan 15:40
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What's Changed

  • Promote b/e changes to production by @mwinokan in #694
  • Snapshots refactor and mint incremental by @mwinokan in #701
  • Mint incremental release (target settings UI, density snapshots, LHS upload/display bugs) by @mwinokan in #703
  • Change xtalform tags, underscore instead of slash (issue 1615) by @kaliif in #704
  • Allow fetchng sessionid from API by @kaliif in #705
  • Change serializer call method to fix API HTML form rendering (issue 1626) by @kaliif in #706
  • LHS data versioning (issue 1612) by @kaliif in #707
  • ExperimentUpload objects output, better format and filters (issue 1627) by @kaliif in #708
  • Additional fields to api/target_experiment_uploads endpoint (issue 1627) by @kaliif in #709
  • Initial changes to resurrect Squonk job execution by @alanbchristie in #712
  • Add scripts to LHS downloads (issue 1633) by @kaliif in #713
  • Push to production by @mwinokan in #714

Full Changelog: 2024.12.3...2025.01.1

2024.12.3 Mint incremental release (target settings UI, density snapshots, LHS upload/display bugs)

12 Dec 09:00
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2024.12.2 snapshots refactor and mint incremental

06 Dec 13:13
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What's Changed

  • Warnings instead of failures on empty attributes in RHS upload (issues 1589 and tail end of 1527) by @kaliif in #695
  • Customizable target-wide identifier order (issue 1540) by @kaliif in #696
  • Removed reference to old observation attribute (issue 1575, vectors) by @kaliif in #697
  • Add missing migration file (issue 1540) by @kaliif in #698
  • Max's attempt to fix behaviour for 1589 by @mwinokan in #699
  • Max 1589 by @kaliif in #700
  • Snapshots refactor and mint incremental by @mwinokan in #701

Full Changelog: 2024.11.2...2024.12.2

2024.12.1 snapshots refactor and mint incremental

06 Dec 13:06
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What's Changed

  • Merged fixes for issues 1262, 1432, 1514, 1524 and 1552 by @kaliif in #687
  • Issue 1564, fix media paths in production by @kaliif in #688
  • Enable aligned files sdf capture and download (issue 1512, altlocs) by @kaliif in #689
  • Merge production hotfix (2024.11.2) back to staging by @kaliif in #690
  • Fixed compounds_manual.csv path (issue 1262) by @kaliif in #692
  • Use data from header molecule in RHS to fill scores (issue 1527) by @kaliif in #691
  • Fix incrementing numeric code on new compound (issue 1524) by @kaliif in #693
  • Warnings instead of failures on empty attributes in RHS upload (issues 1589 and tail end of 1527) by @kaliif in #695
  • Customizable target-wide identifier order (issue 1540) by @kaliif in #696
  • Removed reference to old observation attribute (issue 1575, vectors) by @kaliif in #697
  • Add missing migration file (issue 1540) by @kaliif in #698
  • Max's attempt to fix behaviour for 1589 by @mwinokan in #699
  • Max 1589 by @kaliif in #700

Full Changelog: 2024.11.1...2024.12.1

2024.11.2

27 Nov 09:58
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What's Changed

  • Merged fixes for issues 1262, 1432, 1514, 1524 and 1552 by @kaliif in #687
  • Issue 1564, fix media paths in production by @kaliif in #688
  • Enable aligned files sdf capture and download (issue 1512, altlocs) by @kaliif in #689
  • Merge production hotfix (2024.11.2) back to staging by @kaliif in #690
  • Fixed compounds_manual.csv path (issue 1262) by @kaliif in #692
  • Use data from header molecule in RHS to fill scores (issue 1527) by @kaliif in #691
  • Fix incrementing numeric code on new compound (issue 1524) by @kaliif in #693
  • Promote b/e changes to production by @mwinokan in #694

Full Changelog: 2024.11.1...2024.11.2

2024.11.1-1 media paths hot fix

08 Nov 14:09
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What's Changed

  • Issue 1564, fix media paths in production by @kaliif in #688

Full Changelog: 2024.11.1...2024.11.1-1

Mint incremental release

04 Nov 13:04
f346b79
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What's Changed

  • Fix ComputedMolecule name format (issue 1524) by @kaliif in #675
  • Fixed (probably) data loss on metadata.csv uploads (issue 1535) by @kaliif in #676
  • feat: versioned auto-assigned upload tags by @kaliif in #677
  • fix: correct source paths by @kaliif in #678
  • Allow uploading same target to multiple projects (issue 1514) by @kaliif in #679
  • fix: add code path to handle old uploads (with task_id) (issue 1514) by @kaliif in #680
  • fix: a bug in migration script (issue 1514) by @kaliif in #681
  • RHS data download (issue 1527, partial) by @kaliif in #682
  • Another fix to data structure migration script. by @kaliif in #683
  • Added timestamp to auto-upload tag (issue 1517) by @kaliif in #684
  • Single sdf in downloads has correct structure separators (issue 1555) by @kaliif in #685
  • Merge staging changes into production for 2024.11.1 by @mwinokan in #686

Full Changelog: 2024.09.4...2024.11.1

Fixes for API CSS (1500) and metadata upload (1530)

30 Sep 09:28
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Full Changelog: 2024.09.3...2024.09.4

What's Changed

  • Fix missing CSS in REST API (issue 1500) by @kaliif in #672
  • Fixes issue 1530 (metadata loading) and remainder of 1496 (missing columns) by @kaliif in #673
  • Promote 1500 (backend CSS) and 1530 (metadata upload fix) to production by @mwinokan in #674

Full Changelog: 2024.09.3...2024.09.4