Releases: xchem/fragalysis-backend
Releases · xchem/fragalysis-backend
2025.03.1 OSCARS
2025.02.1 OSCARS
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- Fix poses without main_observation on superseded observations (issue 1679) by @kaliif in #724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
- @boriskovar-m2ms made their first contribution in #719
Full Changelog: 2025.01.1...2025.02.1
2025.01.1 OSCARS
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)
2024.12.2 snapshots refactor and mint incremental
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
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
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
What's Changed
Full Changelog: 2024.11.1...2024.11.1-1
Mint incremental release
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)
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