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Pull requests list

Update rdkit_gist.c fixes #7493
#7547 opened Jun 20, 2024 by ergo70 Loading…
1
3
Avoid duplicate enhanced stereo labels in drawing bug
#7546 opened Jun 20, 2024 by ptosco Loading… 2024_03_4
1
[WIP] Fix/kminimization
#7535 opened Jun 17, 2024 by nmaeder Loading…
Multiple templates
#7532 opened Jun 17, 2024 by ZontaNicola Loading…
Fixes #7306
#7510 opened Jun 9, 2024 by greglandrum Loading…
5
Switch to isoelectronic valence model changes results enhancement
#7491 opened Jun 5, 2024 by greglandrum Loading… 2024_09_1
Allow subsets of ring systems to match templates
#7468 opened May 28, 2024 by ZontaNicola Loading…
13
Add python Conformer.SetPositions wrapper
#7449 opened May 16, 2024 by bp-kelley Loading…
21
Update test_rfrag.py to pytest
#7440 opened May 14, 2024 by watson-clara Loading…
1
Geometry Cleanup Code cleanup and refactoring
#7433 opened May 10, 2024 by AnnaBruenisholz Loading… 2024_03_4
12
Valence clean-up bug changes results Cleanup Code cleanup and refactoring
#7397 opened Apr 28, 2024 by ptosco Loading…
[WIP] migrate cmake to use FindPython instead of FindPythonInterp+FindPythonLibs
#7393 opened Apr 27, 2024 by rvianello Loading…
2
Support writing CX extensions in reactions
#7340 opened Apr 8, 2024 by rachelnwalker • Draft
4
RGD highlights as in blog post
#7322 opened Apr 2, 2024 by ptosco Loading…
MinimalLib Function Exposure: Scaffold Networks
#7312 opened Mar 28, 2024 by syedzayyan Loading…
3
Improve PDB formatting with incomplete Monomer info
#7286 opened Mar 21, 2024 by fwaibl Loading…
1 of 3 tasks
DO NOT MERGE--test of docs preview
#7219 opened Mar 7, 2024 by bertiewooster Loading…
10
Support allenes in canonicalizing double bonds, fixes #7044
#7137 opened Feb 5, 2024 by pechersky Loading…
1
4
Enhanced Stereochemistry canonicalization errors
#7041 opened Jan 12, 2024 by tadhurst-cdd Loading…
@greglandrum
13
Refactor smiles parsing code to use C++ lexer and parser (#7015)
#7016 opened Jan 1, 2024 by whosayn Loading…
refactor: replace boost::shared_ptr with std::shared_ptr
#6923 opened Nov 15, 2023 by e-kwsm • Draft
conan build 97% success
#6850 opened Oct 29, 2023 by HokageM Loading…
3
Fix code formatting in docstrings for a few functions
#6848 opened Oct 28, 2023 by bertiewooster Loading…
4
Multi-Conformer Reader #1125
#6821 opened Oct 20, 2023 by RPirie96 Loading…
3
Add support for vcpkg
#6794 opened Oct 9, 2023 by SPKorhonen Loading…
2
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