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
b5c759d74e
[Feature] Register / Login / Logout View Testing ( #126 )
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Co-authored-by: Tim Lorsbach <tim@lorsba.ch >
Reviewed-on: enviPath/enviPy#126
2025-09-19 06:44:25 +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
762a6b7baf
[Feature] Package Export/Import ( #116 )
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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
5477b5b3d4
[Feature] Rule Based Model ( #92 )
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Fixes #89
Co-authored-by: Tim Lorsbach <tim@lorsba.ch >
Reviewed-on: enviPath/enviPy#92
2025-09-09 19:32:12 +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
2babe7f7e2
[Feature] Scenario Creation ( #78 )
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Co-authored-by: Tim Lorsbach <tim@lorsba.ch >
Reviewed-on: enviPath/enviPy#78
2025-09-02 08:06:18 +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
1267ca8ace
Enable App Domain Assessment on Model Page ( #45 )
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Co-authored-by: Tim Lorsbach <tim@lorsba.ch >
Reviewed-on: enviPath/enviPy#45
2025-08-12 09:02:11 +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
026189ccd9
First Issues / Improvements detected in Beta ( #36 )
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Co-authored-by: Tim Lorsbach <tim@lorsba.ch >
Reviewed-on: enviPath/enviPy#36
2025-07-24 09:57:50 +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
