Releases · xchem/fragalysis-stack

28 Jan 15:59

mwinokan

2025.01.1

e4a0934

2025.01.1 OSCARS incremental Latest

Latest

What's Changed

Pull requests

b/e and f/e to user 2025.01.1 by @mwinokan in #107

Full Changelog: 2024.12.2...2025.01.1

Contributors

mwinokan

Assets 2

12 Dec 09:49

mwinokan

2024.12.2

4fa5ab8

Mint incremental release (2024.12.2)

Main features

Target settings UI
Fix electron density snapshots
Fixed incremental LHS upload/display bugs

stack changes

Mint incremental release by @mwinokan in #106

Full Changelog: 2024.12.1...2024.12.2

B/E changes

Fixes upload 2 bug by @kaliif in xchem/fragalysis-backend#702

Full Changelog: xchem/fragalysis-backend@2024.12.1...2024.12.3

F/E changes

#1603 fix densities by @boriskovar-m2ms in xchem/fragalysis-frontend#465
#1540 preferred aliases by @matej-vavrek in xchem/fragalysis-frontend#466
#1604 by @boriskovar-m2ms in xchem/fragalysis-frontend#467
Mint incremental release (target settings UI, density snapshots, LHS upload/display bugs) by @mwinokan in xchem/fragalysis-frontend#468

Full Changelog: xchem/fragalysis-frontend@2024.12.1...2024.12.2

Contributors

boriskovar-m2ms, kaliif, and 2 other contributors

Assets 2

06 Dec 13:19

mwinokan

2024.12.1

8e8c169

Snapshot refactor and mint incremental (2024.12.1)

stack changes

An attempt to update the trigger-awx-action by @alanbchristie in #104
Snapshots refactor and mint incremental by @mwinokan in #105

Full Changelog: 2024.11.3...2024.12.1

b/e changes

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

Full Changelog: xchem/fragalysis-backend@2024.11.2...2024.12.2

f/e changes

#1483 snapshots refactoring by @boriskovar-m2ms in xchem/fragalysis-frontend#461
removed SGC column from target list by @matej-vavrek in xchem/fragalysis-frontend#463
Snapshots refactor and mint incremental by @mwinokan in xchem/fragalysis-frontend#464

Full Changelog: xchem/fragalysis-frontend@2024.11.2...2024.12.1

Contributors

boriskovar-m2ms, kaliif, and 3 other contributors

Assets 2

27 Nov 10:07

mwinokan

2024.11.3

8c8fbcc

Mint incremental release (2024.11.3)

Small fixes to LHS & RHS

f/e 2024.11.2:

#1501 by @matej-vavrek in xchem/fragalysis-frontend#451
#1519 and #1520 by @matej-vavrek in xchem/fragalysis-frontend#453
#1497 by @matej-vavrek in xchem/fragalysis-frontend#454
#1522, #1518 by @matej-vavrek in xchem/fragalysis-frontend#455
#1514 by @matej-vavrek in xchem/fragalysis-frontend#456
#1523 #1463 by @matej-vavrek in xchem/fragalysis-frontend#457
#1551 by @matej-vavrek in xchem/fragalysis-frontend#459
Promote f/e changes to production by @mwinokan in xchem/fragalysis-frontend#462

b/e 2024.11.2:

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