Brian Kelley cc1cfecff2 Save the atom bookmarks so we can deconvolute reaction products. ...

This also ensures the atom bookmarks in the reactants
are cleared (allows a product to be a reactant since we
no longer clear the product bookmarks)

2015-03-14 15:52:35 -04:00

..

Catalogs

more on #204

2014-02-06 06:43:28 +01:00

ChemicalFeatures

- fixed tests failing on Windows when retrieving sources through the

2015-02-22 21:49:40 +00:00

cmake/Modules

Merge pull request #412 from rdkit/new_drawing_Jan2015

2015-01-20 02:37:03 -05:00

DataManip

initial set of changes introducing python3 support

2014-06-17 18:26:41 +02:00

DataStructs

- fixed tests failing on Windows when retrieving sources through the

2015-02-22 21:49:40 +00:00

Demos

Dictionary access is saniztized and optimized.

2015-01-15 12:23:29 -05:00

DistGeom

changes to better support numpy 1.9;

2015-01-06 08:24:11 +01:00

doxygen

update doxygen files and add new logo without text

2013-07-11 07:19:33 +02:00

Features

add missing headers for "make install"

2013-02-05 04:57:59 +00:00

ForceField

add units to force field docs

2015-01-29 14:05:16 +01:00

Geometry

more pickle cleanups

2014-06-20 06:59:11 +02:00

GraphMol

Save the atom bookmarks so we can deconvolute reaction products.

2015-03-14 15:52:35 -04:00

JavaWrappers

support supplying highlight radii

2015-03-04 07:21:03 +01:00

ML

- fixed tests failing on Windows when retrieving sources through the

2015-02-22 21:49:40 +00:00

Numerics

changes to better support numpy 1.9;

2015-01-06 08:24:11 +01:00

PgSQL/rdkit

make the cartridge makefile a bit clearer

2015-02-13 12:41:30 +01:00

Query

add getFullDescription() to Query;

2014-05-22 15:18:07 +02:00

RDBoost

RDKit learns how to release the GIL in python

2015-03-11 20:08:09 -04:00

RDGeneral

Dictionary access is saniztized and optimized.

2015-01-15 12:23:29 -05:00

SimDivPickers

python3 portability fixes for pandas and the ipython notebook

2014-09-11 23:49:45 +02:00

CMakeLists.txt

add missing headers for "make install"

2013-02-05 04:57:59 +00:00

notes.txt

initial import

2006-05-06 22:20:08 +00:00

test_list.py

get geometry tests working on mac and include them in the default build

2009-10-02 10:12:46 +00:00