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Pull requests: rdkit/rdkit

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Pull requests list

style: apply readability-braces-around-statements
#8136 opened Dec 24, 2024 by e-kwsm Loading…
Explain how to run doctests locally
#8135 opened Dec 22, 2024 by bertiewooster Loading…
2
fix: apply modernize-use-nullptr
#8134 opened Dec 22, 2024 by e-kwsm Loading…
Expand on Explicit Valence Error - Partial Sanitization recipe
#8131 opened Dec 21, 2024 by bertiewooster Loading…
2
Fixes two out-of-bounds bugs in the InChI wrapper bug
#8126 opened Dec 20, 2024 by greglandrum Loading… 2024_09_5
1
5
Vulnerability fixes
#8116 opened Dec 17, 2024 by thomp-j Loading…
6
Conformer embedding timeout enhancement
#8110 opened Dec 16, 2024 by nrontsis Loading…
2
Rascal synthon search enhancement
#8097 opened Dec 14, 2024 by DavidACosgrove Loading…
2
style: renormalize EOL
#8056 opened Dec 1, 2024 by e-kwsm Loading…
switch to C++20 enhancement
#8039 opened Nov 25, 2024 by greglandrum • Draft 2025_03_1
1
remove no-op macros and dead code (pt 4) Cleanup Code cleanup and refactoring
#8037 opened Nov 25, 2024 by whosayn Loading…
8
remove no-op macros and dead code (pt 3) Cleanup Code cleanup and refactoring
#8036 opened Nov 25, 2024 by whosayn Loading…
3
remove no-op macros and dead code (pt 2) Cleanup Code cleanup and refactoring
#8035 opened Nov 25, 2024 by whosayn Loading… 2024_09_5
1
fix problems with template matching
#7975 opened Oct 30, 2024 by ZontaNicola Loading…
1
@greglandrum
4
Upstream patches from rdkit-feedstock
#7965 opened Oct 28, 2024 by skearnes Loading…
@ptosco
3
Update RDKit_Book.rst
#7946 opened Oct 21, 2024 by johnmay Loading…
2
Replace GetImplicitValence() and GetExplicitValence() with GetValence() API-change Cleanup Code cleanup and refactoring
#7926 opened Oct 17, 2024 by greglandrum Loading… 2025_03_1
28
Cns mpo
#7915 opened Oct 11, 2024 by Adam-maz Loading…
2
export the targets with a python dependency to a different config file
#7914 opened Oct 11, 2024 by rvianello • Draft
3
Proposal/Minimallib CI
#7754 opened Aug 23, 2024 by MichelML Loading…
4
Get pytest to run without incurring in a circular import when RDKit Python modules are installed out-of-tree
#7752 opened Aug 23, 2024 by ptosco Loading…
2
Exposure to minilib: molzip
#7748 opened Aug 23, 2024 by StLeonidas Loading…
@ptosco
2
Suppress large amounts of 'macro redefined' warnings in clang/emcc builds infrastructure build infrastructure and the like
#7747 opened Aug 23, 2024 by ptosco Loading…
refactor: use [[maybe_unused]] attribute
#7737 opened Aug 21, 2024 by e-kwsm Loading…
8
Fix a bug in findMesoCenters() bug
#7686 opened Aug 2, 2024 by greglandrum Loading… 2024_09_5
1
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