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157df3c2967ce2949b68ea3fed5d46b767484b17
rdkit/Code
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Greg Landrum 157df3c296 fix a thread-safety bug in the UFF parameter acquisition (#4553)
2021-09-29 09:31:36 +02:00
..
Catalogs
Run clang-tidy (modernize-use-override) (#4251)
2021-07-01 05:18:56 +02:00
ChemicalFeatures
a few doxygen comment fixes (#4368)
2021-08-09 04:58:01 +02:00
cmake
refactor static suffixing strategy (#4450)
2021-09-01 04:53:38 +02:00
DataManip
Run clang-format against header files (#4143)
2021-06-08 07:57:51 +02:00
DataStructs
Improve test coverage and some bug fixes (#4536)
2021-09-26 07:45:06 +02:00
Demos
miscellaneous updates (#4284)
2021-07-13 06:57:29 +02:00
DistGeom
Add custom distance bounds parameter for ETKDG conformer generation (#4516)
2021-09-16 12:32:10 +02:00
doxygen
update doxygen files and add new logo without text
2013-07-11 07:19:33 +02:00
Features
Run clang-format against header files (#4143)
2021-06-08 07:57:51 +02:00
ForceField
fix a thread-safety bug in the UFF parameter acquisition (#4553)
2021-09-29 09:31:36 +02:00
Fuzz
Run clang-format against header files (#4143)
2021-06-08 07:57:51 +02:00
Geometry
Improve test coverage and some bug fixes (#4536)
2021-09-26 07:45:06 +02:00
GraphMol
fix a thread-safety bug in the UFF parameter acquisition (#4553)
2021-09-29 09:31:36 +02:00
JavaWrappers
Add support for SRUs to MolEnumerator (#4563)
2021-09-28 16:37:39 +02:00
MinimalLib
Expose get_smarts to JS (#4547)
2021-09-23 04:37:13 +02:00
ML
Swap from RDUNUSED_PARAM to unnamed parameters (#4433)
2021-08-24 17:19:46 -04:00
Numerics
a few doxygen comment fixes (#4368)
2021-08-09 04:58:01 +02:00
PgSQL/rdkit
add mol_adjust_query_properties(qmol) (#4543)
2021-09-23 04:37:37 +02:00
Query
a few doxygen comment fixes (#4368)
2021-08-09 04:58:01 +02:00
RDBoost
Addresses #4425 (#4426)
2021-08-20 11:23:39 +02:00
RDGeneral
CXSMILES improvements (#4396)
2021-08-09 17:21:00 +02:00
RDStreams
switch to using target_compile_definitions instead of add_definitions (#3350)
2020-08-21 04:49:07 +02:00
SimDivPickers
miscellaneous updates (#4284)
2021-07-13 06:57:29 +02:00
CMakeLists.txt
MinimalLib: add CFFI interface (#4018)
2021-04-15 21:33:52 +02:00
notes.txt
Unset executable flag
2019-10-10 20:18:43 +09:00