Jan Domanski 18b790a0a9 Custom color to highlight atoms in Mol2Image ...

Tiny usability improvement, with docs and example

2014-08-23 11:27:52 +01:00

..

Avalon

initial addition of avalontoolkit support

2011-12-23 06:17:39 +00:00

Chem

Custom color to highlight atoms in Mol2Image

2014-08-23 11:27:52 +01:00

DataManip

initial set of changes introducing python3 support

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

DataStructs

simplified some conditional constructs based on the major version of python

2014-07-15 23:57:34 +02:00

Dbase

simplified some conditional constructs based on the major version of python

2014-07-15 23:57:34 +02:00

DistanceGeometry

initial set of changes introducing python3 support

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

ForceField

initial set of changes introducing python3 support

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

Geometry

initial set of changes introducing python3 support

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

Logger

additional changes related to pickling.

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

ML

added reordering feature to Butina clustering

2014-07-24 22:45:50 +02:00

Numerics

initial set of changes introducing python3 support

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

SimDivFilters

fix the simdivfilters problem with python3. This has now been tested on py3 and should, hopefully, not cause the travis build to fail

2014-08-05 05:26:25 +02:00

sping

additional changes related to pickling.

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

utils

initial set of changes introducing python3 support

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

VLib

additional changes related to pickling.

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

__init__.py

update versioning information

2010-01-26 05:29:25 +00:00

_py2_pickle.py

additional changes related to pickling.

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

CMakeLists.txt

patch from Riccardo Vianello to improve install

2010-07-27 04:57:59 +00:00

epydoc.config

doc config update

2012-01-07 07:30:38 +00:00

RDConfig.py

fixed implicit relative import

2014-07-13 23:23:48 +02:00

RDLogger.py

fix GitHub issue 24

2013-04-25 13:16:37 +00:00

RDRandom.py

remove whrandom dependency in RDRandom (which now just uses the standard python random); tested with py2, still needs py3 tests

2014-07-09 07:19:57 +02:00

six.py

additional changes related to pickling.

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

test_list.py

add tests of python code to the ctest harness

2010-01-14 16:10:09 +00:00

TestRunner.py

simplified some conditional constructs based on the major version of python

2014-07-15 23:57:34 +02:00