Greg Landrum 02027ad0bd passes all tests

2014-01-28 09:26:23 +01:00

..

Catalogs

remove exe property from source files

2011-01-13 04:22:56 +00:00

ChemicalFeatures

add (optional) ids to ChemicalFeatures; contributed by JP Ebejer

2012-04-21 03:41:53 +00:00

cmake/Modules

Fixes #185

2014-01-01 08:18:17 +01:00

DataManip

remove exe property from source files

2011-01-13 04:22:56 +00:00

DataStructs

Changes to the various bulk similarity functions for #119; not closing yet since there may still be other places that need to be updated

2013-10-05 08:02:04 +02:00

Demos

boost_system not required

2014-01-04 16:48:57 +01:00

DistGeom

Fixes #167

2013-11-27 07:26:05 +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

- removed a spurious #ifdef [...] #endif from

2014-01-27 19:05:49 +01:00

Geometry

add GetGridIndices to python wrapper

2013-12-20 12:11:56 +01:00

GraphMol

passes all tests

2014-01-28 09:26:23 +01:00

JavaWrappers

passing all tests

2014-01-24 05:16:56 +01:00

ML

fix github issue 18

2013-04-16 11:22:03 +00:00

Numerics

a couple of small vector modifications

2013-10-08 13:38:47 +02:00

PgSQL/rdkit

switch around library order to better support static linkage

2013-11-22 13:55:39 +01:00

Query

make query description handling more efficient

2013-12-14 09:31:41 +01:00

RDBoost

Fix #63

2013-07-05 05:20:15 +02:00

RDGeneral

some cleanups areound the Invariant code

2014-01-01 16:39:53 +01:00

SimDivPickers

docstring cleanup

2012-01-07 15:10:42 +00:00

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