pub_soft/rdkit
3
0
Fork 0
mirror of https://github.com/rdkit/rdkit.git synced 2026-06-07 22:44:25 +08:00
Code Issues Packages Projects Releases Wiki Activity
Files
853445826b594a73d4ec558596ae19b5209529fd
rdkit/Code
History
Greg Landrum 853445826b Fix a UFF bug (#2875)
2020-01-17 16:03:20 +01:00
..
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
Cleanups and additional tests to improve test coverage (#2852)
2020-01-09 16:07:55 -05:00
DataStructs
Cleanups and additional tests to improve test coverage (#2852)
2020-01-09 16:07:55 -05:00
Demos
Cleanups and additional tests to improve test coverage (#2852)
2020-01-09 16:07:55 -05:00
DistGeom
Cleanups and additional tests to improve test coverage (#2852)
2020-01-09 16:07:55 -05:00
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
Cleanups and additional tests to improve test coverage (#2852)
2020-01-09 16:07:55 -05:00
Geometry
Cleanups and additional tests to improve test coverage (#2852)
2020-01-09 16:07:55 -05:00
GraphMol
Fix a UFF bug (#2875)
2020-01-17 16:03:20 +01:00
JavaWrappers
update maven url (#2889)
2020-01-16 18:57:01 +01:00
MinimalLib
Rename RDK_OPTIMIZE_NATIVE to RDK_OPTIMIZE_POPCNT as suggested in #916 (#2865)
2020-01-09 10:07:44 +01:00
ML
Cleanups and additional tests to improve test coverage (#2852)
2020-01-09 16:07:55 -05:00
Numerics
Cleanups and additional tests to improve test coverage (#2852)
2020-01-09 16:07:55 -05:00
PgSQL/rdkit
Fixes #2790 (#2869)
2020-01-10 17:34:27 +01:00
Query
Cleanups and additional tests to improve test coverage (#2852)
2020-01-09 16:07:55 -05:00
RDBoost
Fix typo (#2862)
2019-12-31 06:43:27 +01:00
RDGeneral
Cleanups and additional tests to improve test coverage (#2852)
2020-01-09 16:07:55 -05:00
RDStreams
Get zlib-free linking working on windows (#2729)
2019-10-24 13:36:24 +02:00
SimDivPickers
Cleanups and additional tests to improve test coverage (#2852)
2020-01-09 16:07:55 -05:00
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