Commit Graph
51 Commits
Author SHA1 Message Date
Tim Lorsbach a2761dcaaf Add Edge check for pes 2026-06-19 09:52:39 +02:00
Tim Lorsbach 4a4ebf6955 adjusted migration
Initial bayer app

Show Pack Classification

Adjusted docker compose to bayer specifics

Adjusted Dockerfile for Bayer

Adding secret flags to group, add secret pools to packages

Adjusted View for Package creation

Prep configs, added Package Create Modal

wip

More on PES

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wip

Wip

minor

PW interactions

API PES

wip

Make Select Widget reflect required

make required generallay available

Update UI if pathway mode is set to build

Added ais

circle adjustments

Initial Zoom, fix AD Creation

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2026-06-16 22:38:45 +02:00
jebusandTim Lorsbach 2502c020f7 [Fix] Collection of minor Bugfixes (#417)
User feedback from on-prem installation

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#417
2026-06-17 07:56:32 +12:00
jebusandTim Lorsbach 964574c700 [Feature] Biotransformer in enviPath (#364)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#364
2026-04-10 00:00:13 +12:00
jebusandTim Lorsbach b737fc93eb [Feature] Search for Permissions, Prep Compound / Structure to be extended, Prep Template overwrites (#347)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#347
2026-03-11 11:27:15 +13:00
jebusandTim Lorsbach c6ff97694d [Feature] PEPPER in enviPath (#332)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#332
2026-03-06 22:11:22 +13:00
liambrydon 58ab5b33e3 [Fix] Filter Active Users (#314) (#329)
Adding users to a group or setting permissions on a package now filter for active users. Also any inactive members of group/package get marked as such.

<img width="490" alt="{3B906C71-F3AE-41E4-A61C-B8377D79F685}.png" src="attachments/09cf149a-9d7a-4560-8ce7-9f3487527ee2">

Reviewed-on: enviPath/enviPy#329
Co-authored-by: Liam Brydon <lbry121@aucklanduni.ac.nz>
Co-committed-by: Liam Brydon <lbry121@aucklanduni.ac.nz>
2026-02-12 20:20:16 +13:00
t03i dc18b73e08 [Feature] Adds timeseries display (#313)
Adds a way to input/display timeseries data to the additional information

Reviewed-on: enviPath/enviPy#313
Reviewed-by: jebus <lorsbach@envipath.com>
Co-authored-by: Tobias O <tobias.olenyi@envipath.com>
Co-committed-by: Tobias O <tobias.olenyi@envipath.com>
2026-02-04 01:01:06 +13:00
t03i d80dfb5ee3 [Feature] Dynamic additional information rendering in frontend (#282)
This implements a version of #274, relying on Pydantics built in JSON schema and JSON rendering.
Requires additional UI tagging in the ai model repo but will remove HTML tags.

Example scenario with filled information: 5882df9c-dae1-4d80-a40e-db4724271456/scenario/3a4d395a-6a6d-4154-8ce3-ced667fceec0

Reviewed-on: enviPath/enviPy#282
Co-authored-by: Tobias O <tobias.olenyi@envipath.com>
Co-committed-by: Tobias O <tobias.olenyi@envipath.com>
2026-01-31 00:44:03 +13:00
jebusandTim Lorsbach ab0b5a5186 [Feature] Leftovers after Release (#303)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#303
2026-01-22 10:26:38 +13:00
jebusandTim Lorsbach 7c60a28801 [Feature] Threshold Warning + Cosmetics (#277)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#277
2025-12-20 02:11:47 +13:00
liambrydonandt03i 4bf20e62ef [Fix] UI Fixes (#266)
Rather than have a bunch of pull-requests that @jebus will have to merge shall we collect some of the fixes for the UI issues I found in here.

- [x] #259
- [x] #260
- [x] #261
- [x] #262
- [x] #263
- [x] #264
- [x] #265

Co-authored-by: Tobias O <tobias.olenyi@envipath.com>
Reviewed-on: enviPath/enviPy#266
Co-authored-by: Liam Brydon <lbry121@aucklanduni.ac.nz>
Co-committed-by: Liam Brydon <lbry121@aucklanduni.ac.nz>
2025-12-15 21:28:43 +13:00
jebusandTim Lorsbach d2d475b990 [Feature] Show Multi Gen Eval + Batch Prediction (#267)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#267
2025-12-15 08:48:28 +13:00
jebusandTim Lorsbach 648ec150a9 [Feature] Engineer Pathway (#256)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#256
2025-12-10 07:35:42 +13:00
jebusandTim Lorsbach fd2e2c2534 [Fix] Post Modern UI deploy Bugfixes (#240)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#240
2025-11-27 10:28:04 +13:00
t03iandTim Lorsbach 1a2c9bb543 [Feature] Modern UI roll out (#236)
This PR moves all the collection pages into the new UI in a rough push.
I did not put the same amount of care into these as into search, index, and predict.

## Major changes

- All modals are now migrated to a state based alpine.js implementation.
- jQuery is no longer present in the base layout; ajax is replace by native fetch api
- most of the pps.js is now obsolte (as I understand it; the code is not referenced any more @jebus  please double check)
- in-memory pagination for large result lists (set to 50; we can make that configurable later; performance degrades at around 1k) stukk a bit rough tracked in #235

## Minor things

- Sarch and index also use alpine now
- The loading spinner is now CSS animated (not sure if it currently gets correctly called)

## Not done

- Ihave not even cheked the admin pages. Not sure If these need migrations
- The temporary migration pages still use the old template. Not sure what is supposed to happen with those? @jebus

## What I did to test

- opend all pages in browse, and user ; plus all pages reachable from there.
- Interacted and tested the functionality of each modal superfically with exception of the API key modal (no functional test).

---
This PR is massive sorry for that; just did not want to push half-brokenn state.
@jebus @liambrydon I would be glad if you could click around and try to break it :)

Finally closes #133

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#236
Co-authored-by: Tobias O <tobias.olenyi@envipath.com>
Co-committed-by: Tobias O <tobias.olenyi@envipath.com>
2025-11-26 23:16:44 +13:00
t03iandTim Lorsbach 21d30a923f [Refactor] Large scale formatting/linting (#193)
All html files now prettier formatted and fixes for incompatible blocks applied

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#193
Co-authored-by: Tobias O <tobias.olenyi@envipath.com>
Co-committed-by: Tobias O <tobias.olenyi@envipath.com>
2025-11-12 22:47:10 +13:00
t03i 2799718951 fix: open and close search modal (#192)
Modal now opens on badge click.
Modal now closes on random click around

Reviewed-on: enviPath/enviPy#192
Co-authored-by: Tobias O <tobias.olenyi@envipath.com>
Co-committed-by: Tobias O <tobias.olenyi@envipath.com>
2025-11-12 20:53:52 +13:00
jebusandTim Lorsbach 9deca8867e [Feature] Possibility to Retrain Models (#190)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#190
2025-11-12 10:28:35 +13:00
df6056fb86 [Enhancement] Refactor of license django model (#187)
Fixes #119

Licenses are now created in the bootstrap management command. To only create the licenses use the command line argument `-ol` or `--only-licenses`.
These licenses are then fetched by there `cc_string` when adding a license to a package.

Co-authored-by: Liam Brydon <62733830+MyCreativityOutlet@users.noreply.github.com>
Co-authored-by: jebus <lorsbach@envipath.com>
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#187
Co-authored-by: liambrydon <lbry121@aucklanduni.ac.nz>
Co-committed-by: liambrydon <lbry121@aucklanduni.ac.nz>
2025-11-12 08:20:43 +13:00
t03iandTim Lorsbach 2b79adc2f7 [Feature] Implement Search modal in Modern UI (#185)
Implementing a search modal (stretching the level of dynamic that is possible without going to frameworks).

## Major Change
- Search needs packages and is available everywhere now; so had to add reviewed and user packages to global context.

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#185
Co-authored-by: Tobias O <tobias.olenyi@envipath.com>
Co-committed-by: Tobias O <tobias.olenyi@envipath.com>
2025-11-12 01:52:41 +13:00
34589efbde [Fix] Mitigate XSS attack vector by cleaning input before it hits our Database (#171)
## Changes

- All text input fields are now cleaned with nh3 to remove html tags. We allow certain html tags under `settings.py/ALLOWED_HTML_TAGS` so we can easily update the tags we allow in the future.
- All names and descriptions now use the template tag `nh_safe` in all html files.
- Usernames and emails are a small exception and are not allowed any html tags

Co-authored-by: Liam Brydon <62733830+MyCreativityOutlet@users.noreply.github.com>
Co-authored-by: jebus <lorsbach@envipath.com>
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#171
Reviewed-by: jebus <lorsbach@envipath.com>
Co-authored-by: liambrydon <lbry121@aucklanduni.ac.nz>
Co-committed-by: liambrydon <lbry121@aucklanduni.ac.nz>
2025-11-11 22:49:55 +13:00
jebus 13ed86a780 [Feature] Identify Missing Rules (#177)
Fixes #97
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#177
2025-10-30 00:47:45 +13:00
jebusandTim Lorsbach a952c08469 [Feature] Basic logging of Jobs, Model Evaluation (#169)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#169
2025-10-27 22:34:05 +13:00
jebusandTim Lorsbach 1f863fdcd6 [Fix] Remove Scenarios from Objects (#159)
Fixes #155

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#159
2025-10-15 20:23:52 +13:00
jebusandTim Lorsbach 68a3f3b982 [Feature] Alias Support (#151)
Fixes #149

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#151
2025-10-09 23:14:34 +13:00
jebusandTim Lorsbach 7ad4112343 [Feature] External Identifier/References
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#139
2025-10-02 00:40:00 +13:00
jebusandTim Lorsbach 3f5bb76633 [Fix] Remove all Scenarios, catch empty SMILES, prevent default Package delete (#134)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#134
2025-09-30 19:10:57 +13:00
jebusandTim Lorsbach b757a07f91 [Misc] Performance improvements, SMIRKS Coverage, Minor Bugfixes (#132)
Bump Python Version to 3.12
Make use of "epauth" optional
Cache `srs` property of rules to speed up apply
Adjust view names for use of `reverse()`
Fix Views for Scenario Attachments
Added Simply Compare View/Template to identify differences between rdkit and ambit
Make migrations consistent with tests + compare
Fixes #76
Set default year for Scenario Modal
Fix html tags for package description
Added Tests for Pathway / Rule
Added remove stereo for apply

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#132
2025-09-26 19:33:03 +12:00
jebusandTim Lorsbach 50db2fb372 [Feature] MultiGen Eval (Backend) (#117)
Fixes #16

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#117
2025-09-18 18:40:45 +12:00
jebusandTim Lorsbach 762a6b7baf [Feature] Package Export/Import (#116)
Fixes #90
Fixes #91
Fixes #115
Fixes #104

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#116
2025-09-16 02:41:10 +12:00
jebusandTim Lorsbach 62e6448448 [Feature] Legacy Package Import (#106)
Fixes #105

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#106
2025-09-11 01:18:04 +12:00
jebusandTim Lorsbach 31783306e2 [Feature] Pathway SVG Export (#102)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#102
2025-09-10 18:44:18 +12:00
jebusandTim Lorsbach 5477b5b3d4 [Feature] Rule Based Model (#92)
Fixes #89

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#92
2025-09-09 19:32:12 +12:00
jebusandTim Lorsbach a16035677c [Bugfix] Added Missing Paper in Cite Modal (#87)
Fixes #77

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#87
2025-09-05 08:21:46 +12:00
jebusandTim Lorsbach 2babe7f7e2 [Feature] Scenario Creation (#78)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#78
2025-09-02 08:06:18 +12:00
jebusandTim Lorsbach 02d84a9b29 Fix wrong Button Label in "Compound -> Edit" (#64)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#64
2025-08-28 06:32:42 +12:00
jebusandTim Lorsbach 00d9188c0c Copy Objects between Packages (#59)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#59
2025-08-28 06:27:11 +12:00
jebusandTim Lorsbach b95ec98a2f Added Shortcut to make Packages Public (#54)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#54
2025-08-22 07:31:08 +12:00
jebusandTim Lorsbach 6e6b394289 Cleanup (#52)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#52
2025-08-22 06:36:22 +12:00
jebusandTim Lorsbach ec387cc12e Added UI elements to add/remove Scenarios to various objects (#51)
Fixes #23

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#51
2025-08-21 07:56:44 +12:00
jebusandTim Lorsbach 579cd519d0 Experimental App Domain (#43)
Backend App Domain done, Frontend missing

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#43
2025-08-08 20:52:21 +12:00
jebusandTim Lorsbach a1aebfa54d Model Building UI Flag (#39)
Fixes #8
Flag only disables UI Elements

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#39
2025-07-31 07:00:54 +12:00
jebusandTim Lorsbach 79b4b1586c Download Pathway Functionality (#38)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#38
2025-07-31 01:30:16 +12:00
jebusandTim Lorsbach 43c95e3da7 feature/enforce_login (#32)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#32
2025-07-23 07:27:57 +12:00
jebusandTim Lorsbach df896878f1 Basic System (#31)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#31
2025-07-23 06:47:07 +12:00
jebusandTim Lorsbach 9323a9f7d7 Implement Compound CRUD (#22)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#22
2025-07-03 07:17:04 +12:00
jebusandTim Lorsbach 4e58a1fad7 Implement functionality to assigne Licenses to Packages and show existing Licenses (#17)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#17
2025-07-03 06:28:49 +12:00
jebusandTim Lorsbach bcd9451450 Implement basic Group handling (#3)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#3
2025-06-26 00:18:40 +12:00
jebusandTim Lorsbach 844d0708c9 Granting/Updating Permission for Packages (#2)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#2
2025-06-25 08:49:58 +12:00