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rdkit/Code
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Brian Kelley af6d413ccc Exposes substructlibrary to swig (#2337) 
* SWIG wrap SubstructLibrary

* Fix tests

* Fix virtual overload for tagAtoms

* Add SubstructLibrary to swig
2019-03-12 16:35:22 +01:00
..
Catalogs
Fix (most of) mem problems (#2123)
2018-10-29 14:33:26 +00:00
ChemicalFeatures
Remove a bunch of Python2-related warts (#2315)
2019-03-06 20:43:49 -05:00
cmake
Mem errors clean up (#2305)
2019-03-08 05:39:59 +01:00
DataManip
Remove a bunch of Python2-related warts (#2315)
2019-03-06 20:43:49 -05:00
DataStructs
Build warnings revisited (#2318)
2019-03-08 16:42:54 +01:00
Demos
Remove a bunch of Python2-related warts (#2315)
2019-03-06 20:43:49 -05:00
DistGeom
Fixes #2246 (#2248)
2019-02-04 10:32:33 -05:00
doxygen
update doxygen files and add new logo without text
2013-07-11 07:19:33 +02:00
Features
moved test.h from RDBoost to RDGeneral for consistency with export.h (#2074)
2018-10-11 17:35:23 -04:00
ForceField
Change boost int types to std types (#2233)
2019-01-22 17:45:03 +01:00
Geometry
Remove a bunch of Python2-related warts (#2315)
2019-03-06 20:43:49 -05:00
GraphMol
Exposes substructlibrary to swig (#2337)
2019-03-12 16:35:22 +01:00
JavaWrappers
Exposes substructlibrary to swig (#2337)
2019-03-12 16:35:22 +01:00
ML
Merge branch 'doc-update' of https://github.com/greglandrum/rdkit into greglandrum-doc-update
2019-03-07 21:15:00 +01:00
Numerics
Remove a bunch of Python2-related warts (#2315)
2019-03-06 20:43:49 -05:00
PgSQL/rdkit
update expected svg results (connected to #2253)
2019-03-09 04:25:13 +01:00
Query
Mem errors clean up (#2305)
2019-03-08 05:39:59 +01:00
RDBoost
Change boost int types to std types (#2233)
2019-01-22 17:45:03 +01:00
RDGeneral
Build warnings revisited (#2318)
2019-03-08 16:42:54 +01:00
SimDivPickers
Remove a bunch of Python2-related warts (#2315)
2019-03-06 20:43:49 -05:00
CMakeLists.txt
- enable building DLLs on Windows (#1861)
2018-05-16 08:42:41 +02:00
notes.txt
initial import
2006-05-06 22:20:08 +00:00
test_list.py
Issue1071/yapf (#1078)
2016-09-23 04:58:46 +02:00