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Pull requests: openbabel/openbabel

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Pull requests list

Fix dangling reference in CML reaction writer
#2926 opened May 17, 2026 by romanbsd Contributor Loading…
ci: add cibuildwheel builds
#2925 opened May 17, 2026 by njzjz-bot Loading…
refactor(python)!: drop python 3.3−
#2924 opened May 17, 2026 by e-kwsm Contributor Loading…
2
Add a new ring-builder method for macrocycles builder
#2923 opened May 16, 2026 by ghutchis Member Loading…
11
A first test of cibuildwheel for PyPI binary wheels
#2919 opened May 15, 2026 by ghutchis Member Loading…
5
Add Ketcher KET (JSON) chemical structure format
#2909 opened May 14, 2026 by romanbsd Contributor Loading…
4 of 5 tasks
15
Fixed a bug that C.ar was converted to C3 when reading mol2 files bug
#2892 opened May 11, 2026 by ghutchis Member Loading…
test: use preferred format of add_test
#2755 opened Dec 12, 2024 by e-kwsm Contributor • Draft
Upgrade hinformat.cpp InterX
#2661 opened Dec 24, 2023 by ileontyev Loading…
5
Remove redundant SSSR rings based on bond paths
#2648 opened Nov 23, 2023 by fredrikw Contributor Loading…
9
Add some features for Organometallic molecules
#2616 opened Aug 4, 2023 by Jesnm01 Loading…
5
Wiswesser
#2591 opened May 10, 2023 by Mblakey Contributor Loading…
1
AddAtom argument constness
#2583 opened Apr 8, 2023 by correaa Contributor Loading…
1
use simple cube format for molecules with single grid
#2580 opened Mar 29, 2023 by correaa Contributor Loading…
2
document silent deps: maeparser and CoordgenLibs
#2540 opened Sep 28, 2022 by ostueker Loading…
2
If requested, supply atom index as atom classes
#2539 opened Sep 23, 2022 by ghutchis Member Loading…
2
Allow GUI to compile with wxWidgets built with STL
#2527 opened Aug 15, 2022 by super7ramp Loading…
1
Arginine fix
#2504 opened Jul 1, 2022 by dkoes Contributor Loading…
3
Make openbabel objects thread-safe
#2273 opened Aug 23, 2020 by jnooree Loading…
Clean up tools/obabel.cpp
#2152 opened Apr 2, 2020 by e-kwsm Contributor Loading…
6
Tidy up
#2091 opened Nov 21, 2019 by e-kwsm Contributor Loading…
7
Comment out unused parameters
#2075 opened Nov 6, 2019 by e-kwsm Contributor Loading…
5
scripts: Fix Python bindings after move to subdir
#1977 opened Apr 25, 2019 by Reinis Contributor Loading…
4
Added basic ADF 2018 ReaxFF format reader
#1904 opened Oct 25, 2018 by psavery Contributor Loading…
1
Coulomb overlap integrals for Gaussian and Slater-type charges
#1859 opened Jun 28, 2018 by mmghahremanpour Contributor Loading…
4
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