DavidACosgrove 698a84c94b Moved GenerateDepictionMatching[23]DStructure from Allchem.py to the ...

core C++ code in RDDepictor and created Python wrappers for them.

2016-12-09 10:44:15 +00:00

..

Catalogs

first pass, using google style

2015-11-14 14:58:11 +01:00

ChemicalFeatures

Issue1071/yapf (#1078)

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

cmake/Modules

Issue1071/yapf (#1078)

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

DataManip

Issue1071/yapf (#1078)

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

DataStructs

Issue1071/yapf (#1078)

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

Demos

Issue1071/yapf (#1078)

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

DistGeom

Issue1071/yapf (#1078)

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

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

Issue1071/yapf (#1078)

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

Geometry

Issue1071/yapf (#1078)

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

GraphMol

Moved GenerateDepictionMatching[23]DStructure from Allchem.py to the

2016-12-09 10:44:15 +00:00

JavaWrappers

Issue1071/yapf (#1078)

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

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 compatibility issues with postgres < 9.5 (#1000) (#1005)

2016-08-09 04:58:45 +02:00

Query

Issue1071/yapf (#1078)

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

RDBoost

Made DistGeomHelpers test robust against small 3D coordinate variations (#961)

2016-06-28 20:11:31 +02:00

RDGeneral

Issue1071/yapf (#1078)

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

SimDivPickers

Issue1071/yapf (#1078)

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

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