Greg Landrum 6736192f7e a couple of small vector modifications

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

..

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

update build system for windows

2013-04-18 02:33:41 +00:00

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

more drawing updates

2013-03-22 04:02:19 +00:00

DistGeom

Fixes #55

2013-07-02 05:23:56 +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 in the MMFF stretch-bend gradient calculation

2013-10-07 17:53:20 +02:00

Geometry

- Changed all occurrences of RDKit::PI into M_PI

2013-09-20 17:45:41 +02:00

GraphMol

changes suggested by Roger S:

2013-10-08 05:49:54 +02:00

JavaWrappers

remove USR references from SWIG wrappers

2013-10-08 05:48:40 +02:00

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

add support for tversky similarity to cartridge

2013-10-05 15:18:34 +02:00

Query

cleanup

2012-03-22 04:23:17 +00:00

RDBoost

Fix #63

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

RDGeneral

- Changed all occurrences of RDKit::PI into M_PI

2013-09-20 17:45:41 +02:00

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