Paolo Tosco 312fa9a703 Optionally expose MCS to JS and extend optional compilation to JSReaction and JSSubstructLibrary (#6409) ...

* reverted all changes that did not really belong to this PR

* I had forgotten ChemReactions_static

* changes in response to review

---------

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

2023-06-07 12:35:55 +02:00

..

Catalogs

Reformat C/C++ code ahead of 2023.03 release (#6295)

2023-04-28 04:42:35 +02:00

ChemicalFeatures

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

cmake

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

DataManip

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

DataStructs

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

Demos

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

DistGeom

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

doxygen

update doxygen files and add new logo without text

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

Features

Run clang-format against header files (#4143)

2021-06-08 07:57:51 +02:00

ForceField

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

Fuzz

Run clang-format against cpp (#4358)

2021-10-20 04:25:27 +02:00

Geometry

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

GraphMol

Optionally expose MCS to JS and extend optional compilation to JSReaction and JSSubstructLibrary (#6409)

2023-06-07 12:35:55 +02:00

JavaWrappers

Fix swig memory leak (#6346)

2023-05-10 06:16:35 +02:00

MinimalLib

Optionally expose MCS to JS and extend optional compilation to JSReaction and JSSubstructLibrary (#6409)

2023-06-07 12:35:55 +02:00

ML

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

Numerics

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

PgSQL/rdkit

Add optional sortsupport methods to the PostgreSQL GiST indices (#6313)

2023-05-18 06:38:08 +02:00

Query

clang-tidy: readability-simplify-boolean-expr (#4639)

2022-03-17 13:50:50 +01:00

RDBoost

Support Python 3.11 (#5994)

2023-01-24 18:16:26 +01:00

RDGeneral

Fixes #6312: reduces the size of molecule pickles which include atom and bond properties (#6321)

2023-05-26 04:46:23 +02:00

RDStreams

switch to using target_compile_definitions instead of add_definitions (#3350)

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

SimDivPickers

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

CMakeLists.txt

MinimalLib: add CFFI interface (#4018)

2021-04-15 21:33:52 +02:00

notes.txt

Unset executable flag

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