cfd8d7440b
Merge remote-tracking branch 'origin/develop' into enhancement/dataset
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# Conflicts:
# epdb/models.py
# tests/test_enviformer.py
# tests/test_model.py
2025-11-07 08:28:03 +13:00
5dc4c822c4
simple implementation for other feature types #120
2025-11-05 13:11:40 +13:00
13ed86a780
[Feature] Identify Missing Rules ( #177 )
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Fixes #97
Co-authored-by: Tim Lorsbach <tim@lorsba.ch >
Reviewed-on: enviPath/enviPy#177
2025-10-30 00:47:45 +13:00
d5ebb23622
[Fix] AppDomain Leftovers ( #161 )
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Co-authored-by: Tim Lorsbach <tim@lorsba.ch >
Reviewed-on: enviPath/enviPy#161
2025-10-16 08:17:39 +13:00
afeb56622c
[Chore] Linted Files ( #150 )
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Co-authored-by: Tim Lorsbach <tim@lorsba.ch >
Reviewed-on: enviPath/enviPy#150
2025-10-09 07:25:13 +13:00
b757a07f91
[Misc] Performance improvements, SMIRKS Coverage, Minor Bugfixes ( #132 )
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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
50db2fb372
[Feature] MultiGen Eval (Backend) ( #117 )
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Fixes #16
Co-authored-by: Tim Lorsbach <tim@lorsba.ch >
Reviewed-on: enviPath/enviPy#117
2025-09-18 18:40:45 +12:00
4158bd36cb
[Feature] Legacy API Layer ( #80 )
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Co-authored-by: Tim Lorsbach <tim@lorsba.ch >
Reviewed-on: enviPath/enviPy#80
2025-09-03 01:35:51 +12:00
52931526c1
If Molecule contains a ~ load it as SMARTS ( #71 )
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Co-authored-by: Tim Lorsbach <tim@lorsba.ch >
Reviewed-on: enviPath/enviPy#71
2025-08-29 09:14:24 +12:00
fc8192fb0d
Fix App Domain Bug when a Rule can be applied more than once ( #49 )
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Co-authored-by: Tim Lorsbach <tim@lorsba.ch >
Reviewed-on: enviPath/enviPy#49
2025-08-19 22:10:18 +12:00
3308d47071
Fix bond breaking ( #46 )
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Co-authored-by: Tim Lorsbach <tim@lorsba.ch >
Reviewed-on: enviPath/enviPy#46
2025-08-15 09:06:07 +12:00
ec52b8872d
Functional Group Calculation ( #44 )
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Co-authored-by: Tim Lorsbach <tim@lorsba.ch >
Reviewed-on: enviPath/enviPy#44
2025-08-11 09:07:07 +12:00
579cd519d0
Experimental App Domain ( #43 )
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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
df896878f1
Basic System ( #31 )
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Co-authored-by: Tim Lorsbach <tim@lorsba.ch >
Reviewed-on: enviPath/enviPy#31
2025-07-23 06:47:07 +12:00
9323a9f7d7
Implement Compound CRUD ( #22 )
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Co-authored-by: Tim Lorsbach <tim@lorsba.ch >
Reviewed-on: enviPath/enviPy#22
2025-07-03 07:17:04 +12:00
ded50edaa2
Current Dev State
2025-06-23 20:13:54 +02:00
