pub_soft/rdkit
3
0
Fork 0
mirror of https://github.com/rdkit/rdkit.git synced 2026-06-06 22:39:55 +08:00
Code Issues Packages Projects Releases Wiki Activity
Files
7fc8feee9e3ea063cabe91dda2bacdabde54058c
rdkit/Code
History
Paolo Tosco 7fc8feee9e Addresses #3693 (#3695) 
* addresses #3693

* change in response to review

* applied clang -format

* changes in response to discussion
2021-01-07 18:25:08 +01:00
..
Catalogs
switch to using target_compile_definitions instead of add_definitions (#3350)
2020-08-21 04:49:07 +02:00
ChemicalFeatures
switch to using target_compile_definitions instead of add_definitions (#3350)
2020-08-21 04:49:07 +02:00
cmake
Clean up CMake files (#3417)
2020-11-28 08:00:39 +01:00
DataManip
Modernize deprecated header inclusion (#3137)
2020-05-04 10:40:57 +02:00
DataStructs
A couple changes to speedup bulk similarity calculations from Python (#3574)
2020-12-10 05:33:32 +01:00
Demos
Avoid C preprocessor macros (#3138)
2020-05-05 08:08:20 +02:00
DistGeom
switch to using target_compile_definitions instead of add_definitions (#3350)
2020-08-21 04:49:07 +02:00
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
switch to using target_compile_definitions instead of add_definitions (#3350)
2020-08-21 04:49:07 +02:00
Fuzz
Update fuzzer dict (#3162)
2020-05-13 06:52:36 +02:00
Geometry
switch to using target_compile_definitions instead of add_definitions (#3350)
2020-08-21 04:49:07 +02:00
GraphMol
Addresses #3693 (#3695)
2021-01-07 18:25:08 +01:00
JavaWrappers
Add Molbundle search to SWIG (#3698)
2021-01-07 08:53:50 +01:00
MinimalLib
add documentation (#3583)
2020-12-09 13:31:14 +01:00
ML
switch to using target_compile_definitions instead of add_definitions (#3350)
2020-08-21 04:49:07 +02:00
Numerics
switch to using target_compile_definitions instead of add_definitions (#3350)
2020-08-21 04:49:07 +02:00
PgSQL/rdkit
remove the include directive for unused <access/tuptoaster.h> header (#3525)
2020-11-03 06:37:04 +01:00
Query
Add cxsmiles query atoms to CTAB parsers and writers (#3261)
2020-07-03 12:51:19 -04:00
RDBoost
Fixes #3553 (#3554)
2020-11-09 08:06:14 -05:00
RDGeneral
Add molecule annotations/notes to MolDraw2D (#3651)
2020-12-21 11:24:17 +01:00
RDStreams
switch to using target_compile_definitions instead of add_definitions (#3350)
2020-08-21 04:49:07 +02:00
SimDivPickers
switch to using target_compile_definitions instead of add_definitions (#3350)
2020-08-21 04:49:07 +02:00
CMakeLists.txt
Add Fuzzing, fixes #2857 (#3128)
2020-05-08 17:16:43 +02:00
notes.txt
Unset executable flag
2019-10-10 20:18:43 +09:00