Riccardo Vianello 1c2f3f61d5 Fix Uncharger applying to already neutralized perhalic groups (#7211)

2024-03-07 07:58:36 +01:00

..

Catalogs

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

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

ChemicalFeatures

Add Python modules to generate stubs and automatically patch docstrings (#6919)

2023-12-08 04:57:19 +01:00

cmake

Some Clang-specific build instructions skip some clang compilers on mac #6941 (#6942)

2023-12-02 15:01:51 +01:00

DataManip

Add Python modules to generate stubs and automatically patch docstrings (#6919)

2023-12-08 04:57:19 +01:00

DataStructs

- enable building stubs in both in-tree and out-of-tree builds (#6980)

2023-12-27 07:21:25 +01:00

Demos

switch from boost::any to std::any (#6662)

2023-08-25 17:55:33 +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

Add Python modules to generate stubs and automatically patch docstrings (#6919)

2023-12-08 04:57:19 +01:00

Fuzz

Run clang-format against cpp (#4358)

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

Geometry

Add Python modules to generate stubs and automatically patch docstrings (#6919)

2023-12-08 04:57:19 +01:00

GraphMol

Fix Uncharger applying to already neutralized perhalic groups (#7211)

2024-03-07 07:58:36 +01:00

JavaWrappers

Add some ExplicitBitVect operations to Swig (#7204)

2024-03-05 04:29:06 +01:00

MinimalLib

- added a few optional configurable parameters to the MinimalLib Dockerfiles (all have defaults) (#7182)

2024-03-05 04:26:40 +01:00

ML

Add Python modules to generate stubs and automatically patch docstrings (#6919)

2023-12-08 04:57:19 +01:00

Numerics

fixes #7083 (#7084)

2024-02-02 15:33:46 +01:00

PgSQL/rdkit

cmake cleanup (#6814)

2023-12-02 08:01:37 +01:00

Query

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

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

RDBoost

Compatibility with pathlib.Path (#7100)

2024-02-02 15:39:25 +01:00

RDGeneral

Don't reset computed properties if already empty (#7188)

2024-03-05 04:28:40 +01:00

RDStreams

cmake cleanup (#6814)

2023-12-02 08:01:37 +01:00

SimDivPickers

fix check (#7002)

2023-12-27 07:40:58 +01:00

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