Greg Landrum e76cfdf9eb Bring back USR and USRCAT descriptors (#1417) ...

* backup

* cleanup svn droppings

* update URL to Adrian's repo

2017-07-02 10:26:09 +02:00

..

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

add "RDKit" to the beginning of all library names (#1349)

2017-03-20 09:33:13 -04:00

DataManip

clang-tidy output

2017-04-22 17:09:24 +02:00

DataStructs

a number of other small changes from manually reviewing the PR

2017-04-22 17:24:57 +02:00

Demos

Issue1071/yapf (#1078)

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

DistGeom

run clang-format with c++-11 style over that

2017-04-22 17:19:10 +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

run clang-format with c++-11 style over that

2017-04-22 17:19:10 +02:00

Geometry

run clang-format with c++-11 style over that

2017-04-22 17:19:10 +02:00

GraphMol

Bring back USR and USRCAT descriptors (#1417)

2017-07-02 10:26:09 +02:00

JavaWrappers

Fix #1413 (#1414)

2017-07-02 10:24:10 +02:00

ML

clang-tidy output

2017-04-22 17:09:24 +02:00

Numerics

clang-tidy output

2017-04-22 17:09:24 +02:00

PgSQL/rdkit

modify pattern fp order; update expected psql results (#1399)

2017-04-19 11:57:48 -04:00

Query

clang-tidy output

2017-04-22 17:09:24 +02:00

RDBoost

clang-tidy output

2017-04-22 17:09:24 +02:00

RDGeneral

run clang-format with c++-11 style over that

2017-04-22 17:19:10 +02:00

SimDivPickers

fixes #1421 (#1422)

2017-07-02 10:24:26 +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