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rdkit/Code
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Greg Landrum 6f9ba35826 Tune the tautomer scoring (#2959) 
* tautomer scoring tweaks
doc updates
expose tautomer score to Python

* fix leaks in tests
2020-02-19 07:38:04 -05:00
..
Catalogs
Fix typo (#2862)
2019-12-31 06:43:27 +01:00
ChemicalFeatures
Cleanups and additional tests to improve test coverage (#2852)
2020-01-09 16:07:55 -05:00
cmake
Fix typo (#2862)
2019-12-31 06:43:27 +01:00
DataManip
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
DataStructs
Override what() in exceptions (Addresses #2920) (#2928)
2020-02-05 08:20:17 +01:00
Demos
Override what() in exceptions (Addresses #2920) (#2928)
2020-02-05 08:20:17 +01:00
DistGeom
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
doxygen
update doxygen files and add new logo without text
2013-07-11 07:19:33 +02:00
Features
Cleanups and additional tests to improve test coverage (#2852)
2020-01-09 16:07:55 -05:00
ForceField
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
Geometry
Override what() in exceptions (Addresses #2920) (#2928)
2020-02-05 08:20:17 +01:00
GraphMol
Tune the tautomer scoring (#2959)
2020-02-19 07:38:04 -05:00
JavaWrappers
Add a scaffold network implementation (#2911)
2020-02-11 08:21:01 -05:00
MinimalLib
Fixes #2936 (#2938)
2020-02-11 08:27:42 -05:00
ML
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
Numerics
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
PgSQL/rdkit
Override what() in exceptions (Addresses #2920) (#2928)
2020-02-05 08:20:17 +01:00
Query
Cleanups and additional tests to improve test coverage (#2852)
2020-01-09 16:07:55 -05:00
RDBoost
Add a scaffold network implementation (#2911)
2020-02-11 08:21:01 -05:00
RDGeneral
Override what() in exceptions (Addresses #2920) (#2928)
2020-02-05 08:20:17 +01:00
RDStreams
Get zlib-free linking working on windows (#2729)
2019-10-24 13:36:24 +02:00
SimDivPickers
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
CMakeLists.txt
Add minimal JavaScript wrapper (#2444)
2019-06-06 08:45:21 +02:00
notes.txt
Unset executable flag
2019-10-10 20:18:43 +09:00