Paolo Tosco ffa524c87b - added SWIG Java wrappers for ResonanceMolSupplier and ...

getResonanceSubstructMatches()
- added a few tests

2015-11-02 22:45:41 +00:00

..

Catalogs

Catalog::setCatalogParams needs to be virtual now

2015-07-15 11:27:11 -04:00

ChemicalFeatures

Major conversion of std::string API to const std::string &

2015-09-25 15:15:59 -04:00

cmake/Modules

removed bare except statements

2015-09-07 13:27:14 +02:00

DataManip

initial set of changes introducing python3 support

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

DataStructs

merge commit

2015-10-30 02:58:46 +01:00

Demos

merge commit

2015-10-30 02:58:46 +01:00

DistGeom

- Fixed a few glitches which caused the build to fail on Windows

2015-10-24 01:18:10 +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

fixes based on code review

2015-10-21 14:51:53 +02:00

Geometry

Major conversion of std::string API to const std::string &

2015-09-25 15:15:59 -04:00

GraphMol

Merge branch 'master' of https://github.com/rdkit/rdkit

2015-11-02 08:11:50 +01:00

JavaWrappers

- added SWIG Java wrappers for ResonanceMolSupplier and

2015-11-02 22:45:41 +00:00

ML

merge commit

2015-10-30 02:58:46 +01:00

Numerics

dot product should be const

2015-09-11 11:22:45 +02:00

PgSQL/rdkit

Fixes #428

2015-10-28 06:23:45 +01:00

Query

add getFullDescription() to Query;

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

RDBoost

Release the GIL on THREADSAFE_SSS only\nAdds some sanity testing for GIL releases

2015-10-14 19:14:15 -04:00

RDGeneral

Major conversion of std::string API to const std::string &

2015-09-25 15:15:59 -04:00

SimDivPickers

merge commit

2015-10-30 02:58:46 +01:00

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