Greg Landrum 329bf48b77 fix a pathological symmetry case by modifying the atom invariants

2014-08-24 10:51:35 +02:00

..

Catalogs

more on #204

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

ChemicalFeatures

additional changes related to pickling.

2014-07-06 09:13:38 +02:00

cmake/Modules

support running tests when building inside the source tree on windows

2014-04-12 15:24:29 +02:00

DataManip

initial set of changes introducing python3 support

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

DataStructs

ExplicitBitVect: Add +operator to concatenate two ExplicitBitVects

2014-08-19 12:59:50 +02:00

Demos

boost_system not required

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

DistGeom

initial set of changes introducing python3 support

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

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

- fixed a bug which caused the MMFF parameterization code

2014-08-18 16:11:03 +01:00

Geometry

more pickle cleanups

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

GraphMol

fix a pathological symmetry case by modifying the atom invariants

2014-08-24 10:51:35 +02:00

JavaWrappers

Merge branch 'master' into NewCanonicalization_24July2014

2014-08-24 10:46:22 +02:00

ML

additional changes related to pickling.

2014-07-06 09:13:38 +02:00

Numerics

Merge remote-tracking branch 'origin/master' into python3-support

2014-07-13 05:38:52 +02:00

PgSQL/rdkit

cleanup cartridge makefile and document command-line options

2014-08-21 05:07:51 +02:00

Query

add getFullDescription() to Query;

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

RDBoost

removed unnecessary use of PyString_AsStringAndSize

2014-07-16 00:10:35 +02:00

RDGeneral

some cleanups areound the Invariant code

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

SimDivPickers

Fixes #294

2014-08-07 09:22:11 +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