David Cosgrove 2dd9c5f3cd RASCAL MCES (#6568)

2023-08-27 13:51:49 +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

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

2023-08-25 17:55:33 +02:00

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

Fix some build warnings (#6618)

2023-08-11 06:04:55 +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

RASCAL MCES (#6568)

2023-08-27 13:51:49 +02:00

JavaWrappers

Fixes #6479 (#6482)

2023-07-13 19:29:06 +02:00

MinimalLib

- exposed to CFFI and JS MinimalLib functionality to capture RDKit logs with two modalities: (#6628)

2023-08-22 17:06:43 +02:00

ML

refactor(python): replace deprecated unittest methods (#6304)

2023-07-14 07:51:15 +02:00

Numerics

Reformat Python code for 2023.03 release (#6294)

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

PgSQL/rdkit

Support TautomerQuery and MolBundle queries in the cartridge (#6393)

2023-08-23 06:32:06 +02:00

Query

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

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

RDBoost

Fix some build warnings (#6618)

2023-08-11 06:04:55 +02:00

RDGeneral

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

2023-08-25 17:55:33 +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