Greg Landrum 6dcbdb246b at this point I think all descriptors and fingerprints work

2012-02-25 07:14:29 +00:00

..

Catalogs

remove exe property from source files

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

ChemicalFeatures

remove the bjam-based build system

2010-09-27 03:54:07 +00:00

cmake/Modules

merge in Riccardo Vianello's changes to make it easier to build c++ programs using the RDKit with cmake

2011-08-07 16:34:42 +00:00

DataManip

remove exe property from source files

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

DataStructs

add another test

2012-01-10 04:08:58 +00:00

Demos

added

2011-08-15 03:38:32 +00:00

DistGeom

remove the bjam-based build system

2010-09-27 03:54:07 +00:00

doxygen

updating c++ docs

2012-01-07 14:43:59 +00:00

Features

update copyright statements

2010-09-26 17:04:37 +00:00

ForceField

clean up some compiler warnings from clang

2011-05-26 02:36:23 +00:00

Geometry

initial support for clang

2011-05-25 19:40:31 +00:00

GraphMol

at this point I think all descriptors and fingerprints work

2012-02-25 07:14:29 +00:00

JavaWrappers

support seeding the picker

2012-02-05 11:38:31 +00:00

ML

merge in Riccardo Vianello's changes to make it easier to build c++ programs using the RDKit with cmake

2011-08-07 16:34:42 +00:00

Numerics

remove the bjam-based build system

2010-09-27 03:54:07 +00:00

PgSQL

change fp size for mfp2

2012-01-10 05:21:45 +00:00

Query

another checkpoint; this seems to be working for the lipinksi and crippen descriptors

2012-02-25 05:38:09 +00:00

RDBoost

expose streambufs and ostreams

2011-11-20 06:20:51 +00:00

RDGeneral

versions.h does not need to be in svn anymore

2011-10-28 05:27:36 +00:00

SimDivPickers

docstring cleanup

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

CMakeLists.txt

minor updates

2012-01-03 07:50:53 +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