Paolo Tosco d00dcc29fb Fix RGroupCoreAlignment::NoAlignment not properly matching symmetric RGroups correctly(#3743) ...

* Improve consistency in R-group tables involviing symmetric groups

* applied clang-format

* much simpler fix

* use equivalent but simpler regex

* changes in response to review

Co-authored-by: Tosco, Paolo <paolo.tosco@novartis.com>

2021-01-29 15:55:30 -05:00

..

Catalogs

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +02:00

ChemicalFeatures

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +02:00

cmake

Clean up CMake files (#3417)

2020-11-28 08:00:39 +01:00

DataManip

Modernize deprecated header inclusion (#3137)

2020-05-04 10:40:57 +02:00

DataStructs

A couple changes to speedup bulk similarity calculations from Python (#3574)

2020-12-10 05:33:32 +01:00

Demos

Avoid C preprocessor macros (#3138)

2020-05-05 08:08:20 +02:00

DistGeom

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +02:00

doxygen

update doxygen files and add new logo without text

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

Features

Cleanups and additional tests to improve test coverage (#2852)

2020-01-09 16:07:55 -05:00

ForceField

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +02:00

Fuzz

Update fuzzer dict (#3162)

2020-05-13 06:52:36 +02:00

Geometry

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +02:00

GraphMol

Fix RGroupCoreAlignment::NoAlignment not properly matching symmetric RGroups correctly(#3743)

2021-01-29 15:55:30 -05:00

JavaWrappers

Added getMessage method to exceptions (#3700)

2021-01-14 06:53:37 +01:00

MinimalLib

set strictParsing to false in MinimalLib (#3737)

2021-01-18 08:41:38 +01:00

ML

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +02:00

Numerics

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +02:00

PgSQL/rdkit

Fix a number of cartridge stability problems (#3720)

2021-01-14 06:50:51 +01:00

Query

Add cxsmiles query atoms to CTAB parsers and writers (#3261)

2020-07-03 12:51:19 -04:00

RDBoost

Fixes #3553 (#3554)

2020-11-09 08:06:14 -05:00

RDGeneral

Add molecule annotations/notes to MolDraw2D (#3651)

2020-12-21 11:24:17 +01:00

RDStreams

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +02:00

SimDivPickers

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +02:00

CMakeLists.txt

Add Fuzzing, fixes #2857 (#3128)

2020-05-08 17:16:43 +02:00

notes.txt

Unset executable flag

2019-10-10 20:18:43 +09:00