Greg Landrum 3ddb54aeef Fix #1496 (#1517) ...

* switch from using `[D0]` to `[*]` to ensure single atom fragments are correctly handled in the pattern fingerprint;
Fixes #1496

* update expected reaction similarity results

2017-08-15 13:00:30 -04:00

..

Catalogs

clear up a bunch of windows warnings (#1086)

2016-10-04 06:46:07 -04:00

ChemicalFeatures

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

cmake/Modules

- updated FindCairo.cmake (#1455)

2017-06-29 20:33:12 +02:00

DataManip

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

DataStructs

Partial support for reading CXSMILES (#1237)

2017-01-31 13:50:36 -05:00

Demos

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

DistGeom

Fix github1240 (#1396)

2017-04-18 02:33:23 -04:00

doxygen

update doxygen files and add new logo without text

2013-07-11 07:19:33 +02:00

Features

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

ForceField

Fix github1240 (#1396)

2017-04-18 02:33:23 -04:00

Geometry

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

GraphMol

Fix #1496 (#1517)

2017-08-15 13:00:30 -04:00

JavaWrappers

add prepareMolForDrawing to SWIG wrapper; add a test for that too (#1523)

2017-08-12 15:34:50 -04:00

ML

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

Numerics

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

PgSQL/rdkit

Fix #1496 (#1517)

2017-08-15 13:00:30 -04:00

Query

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

RDBoost

Resolve #1323 (#1327)

2017-02-22 07:23:47 -05:00

RDGeneral

Remove xlocale header (#1501)

2017-07-20 05:58:35 +02:00

SimDivPickers

fixes #1421 (#1422)

2017-05-22 17:29:00 -04:00

CMakeLists.txt

- added support for building the rdkit PostgreSQL cartridge within CMake

2016-02-21 22:00:10 +00:00

notes.txt

initial import

2006-05-06 22:20:08 +00:00

test_list.py

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00