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RDKit
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RDKit Code
Open-Source Cheminformatics and Machine Learning
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glandrum
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File
Date
Author
Commit
Catalogs
2011-01-13
glandrum
[r1625] remove exe property from source files
ChemicalFeatures
2012-04-21
glandrum
[r2028] add (optional) ids to ChemicalFeatures; contrib...
DataManip
2011-01-13
glandrum
[r1625] remove exe property from source files
DataStructs
2013-01-08
glandrum
[r2357] Add Rogot Goldberg and AllBit similarity to C++...
Demos
2013-03-22
glandrum
[r2450] more drawing updates
DistGeom
2012-05-20
glandrum
[r2069] fix issue 3528136
Features
2013-02-05
glandrum
[r2407] add missing headers for "make install"
ForceField
2013-03-26
glandrum
[r2455] add changes from sf.net 290:
Geometry
2012-03-11
glandrum
[r1990] add signed dihedral calculation. Add dihedral c...
GraphMol
2013-05-09
glandrum
[r2518] github-28: fix a doc wart
JavaWrappers
2013-05-17
glandrum
[r2519] fix github-32
ML
2013-04-16
glandrum
[r2487] fix github issue 18
Numerics
2013-02-06
glandrum
[r2408] get the code building with boost 1.53: remove b...
PgSQL
2013-04-27
glandrum
[r2507] version bump for cartridge
Query
2012-03-22
glandrum
[r1999] cleanup
RDBoost
2013-02-05
glandrum
[r2407] add missing headers for "make install"
RDGeneral
2013-03-29
glandrum
[r2469] remove some warnings from clang.
SimDivPickers
2012-01-07
glandrum
[r1923] docstring cleanup
cmake
2013-04-18
glandrum
[r2492] update build system for windows
doxygen
2012-01-07
glandrum
[r1922] updating c++ docs
CMakeLists.txt
2013-02-05
glandrum
[r2407] add missing headers for "make install"
notes.txt
2006-05-06
glandrum
[r1] initial import
test_list.py
2009-10-02
glandrum
[r1242] get geometry tests working on mac and include t...
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