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Fix memory leak in InChi handling
Build SWIG bindings #434: Pull request #2706 opened by romanbsd
July 10, 2024 10:09 Action required romanbsd:inchi-memory-leak
July 10, 2024 10:09 Action required
Fix crash on specific CML format
Build SWIG bindings #433: Pull request #2705 opened by romanbsd
July 7, 2024 14:22 Action required romanbsd:cml-parsing-crash
July 7, 2024 14:22 Action required
Support conversion to CMLR
Build SWIG bindings #432: Pull request #2694 synchronize by romanbsd
July 3, 2024 08:41 Action required romanbsd:cmlr-conversion
July 3, 2024 08:41 Action required
Clean up tools/obabel.cpp
Build SWIG bindings #431: Pull request #2152 synchronize by e-kwsm
June 24, 2024 05:29 5m 13s e-kwsm:cleanup-obabel
June 24, 2024 05:29 5m 13s
Reimplement OpenBabel::OBRandom as a wrapper of std::mt19937_64
Build SWIG bindings #430: Pull request #2241 synchronize by e-kwsm
June 24, 2024 05:29 5m 39s e-kwsm:mt19937_64
June 24, 2024 05:29 5m 39s
Comment out unused parameters
Build SWIG bindings #429: Pull request #2075 synchronize by e-kwsm
June 24, 2024 05:29 5m 32s e-kwsm:maybe_unused
June 24, 2024 05:29 5m 32s
Merge pull request #2702 from merkys/libxml2-2.12.7
Build SWIG bindings #428: Commit 7acf50c pushed by ghutchis
June 21, 2024 12:37 5m 33s master
June 21, 2024 12:37 5m 33s
Restore compatibility with libxml 2.12.7
Build SWIG bindings #427: Pull request #2702 opened by merkys
June 21, 2024 11:27 5m 17s merkys:libxml2-2.12.7
June 21, 2024 11:27 5m 17s
Clean up tools/obabel.cpp
Build SWIG bindings #426: Pull request #2152 synchronize by e-kwsm
June 1, 2024 09:58 5m 26s e-kwsm:cleanup-obabel
June 1, 2024 09:58 5m 26s
Reimplement OpenBabel::OBRandom as a wrapper of std::mt19937_64
Build SWIG bindings #425: Pull request #2241 synchronize by e-kwsm
June 1, 2024 09:57 5m 42s e-kwsm:mt19937_64
June 1, 2024 09:57 5m 42s
Merge pull request #2697 from fredrikw/gh2696
Build SWIG bindings #423: Commit 756ebaa pushed by ghutchis
May 22, 2024 14:27 5m 29s master
May 22, 2024 14:27 5m 29s
Clear ImplicitHydrogens on multi-fragment cdxml documents.
Build SWIG bindings #422: Pull request #2697 opened by fredrikw
May 22, 2024 13:50 5m 6s fredrikw:gh2696
May 22, 2024 13:50 5m 6s
Change check for rpc/xdr.h
Build SWIG bindings #418: Pull request #2684 opened by fredrikw
March 22, 2024 08:46 5m 29s fredrikw:gh_1996
March 22, 2024 08:46 5m 29s
Remove redundant SSSR rings based on bond paths
Build SWIG bindings #417: Pull request #2648 synchronize by fredrikw
March 15, 2024 07:17 6m 0s fredrikw:gh_2641
March 15, 2024 07:17 6m 0s
Merge pull request #2682 from fredrikw/fix_test_obconvwriter_pcjson
Build SWIG bindings #416: Commit fffa4af pushed by ghutchis
March 11, 2024 16:23 5m 40s master
March 11, 2024 16:23 5m 40s
Fix failing test in testobconv_writers
Build SWIG bindings #415: Pull request #2682 opened by fredrikw
March 11, 2024 15:34 5m 35s fredrikw:fix_test_obconvwriter_pcjson
March 11, 2024 15:34 5m 35s
Remove redundant SSSR rings based on bond paths
Build SWIG bindings #414: Pull request #2648 synchronize by fredrikw
March 11, 2024 13:52 5m 41s fredrikw:gh_2641
March 11, 2024 13:52 5m 41s
Remove redundant SSSR rings based on bond paths
Build SWIG bindings #413: Pull request #2648 synchronize by fredrikw
March 8, 2024 15:00 5m 15s fredrikw:gh_2641
March 8, 2024 15:00 5m 15s
Make CorrectForPH respect perceived chains.
Build SWIG bindings #412: Pull request #2678 opened by fredrikw
March 5, 2024 12:42 5m 30s fredrikw:gh_2677
March 5, 2024 12:42 5m 30s
Implemented code for atom-typing to support the Alexandria force field.
Build SWIG bindings #411: Pull request #2664 opened by dspoel
January 16, 2024 10:34 5m 20s dspoel:alexandria-patch
January 16, 2024 10:34 5m 20s
Merge pull request #2654 from ghutchis/more-cjson
Build SWIG bindings #408: Commit 32cf131 pushed by ghutchis
December 6, 2023 14:59 5m 11s master
December 6, 2023 14:59 5m 11s
Remove redundant SSSR rings based on bond paths
Build SWIG bindings #407: Pull request #2648 synchronize by fredrikw
December 6, 2023 13:44 5m 13s fredrikw:gh_2641
December 6, 2023 13:44 5m 13s
Add more cjson features, including conformer energies
Build SWIG bindings #406: Pull request #2654 opened by ghutchis
December 6, 2023 05:08 5m 46s ghutchis:more-cjson
December 6, 2023 05:08 5m 46s
Merge pull request #2653 from ghutchis/fix-xtb-gaussian-vibrations
Build SWIG bindings #405: Commit f67d6bc pushed by ghutchis
December 6, 2023 05:08 5m 34s master
December 6, 2023 05:08 5m 34s
Merge pull request #2637 from dkoes/segnames
Build SWIG bindings #404: Commit 283cc84 pushed by ghutchis
December 6, 2023 05:07 5m 9s master
December 6, 2023 05:07 5m 9s