Rachael Pirie b2fe43a9ad add Reaction From Smiles python wrapper (#8843) ...

* add Reaction From Smiles python wrapper

* Update Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>

* fix Greg changes

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Co-authored-by: Greg Landrum <greg.landrum@gmail.com>

2025-10-08 16:13:06 +02:00

..

Catalogs

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

ChemicalFeatures

Switch a bunch of C++ tests to use catch2 (#8625)

2025-07-18 11:50:38 +02:00

cmake

Stop External/rapidjson-1.1.0 and Code/RDGeneral going to ${CMAKE_SOURCE_DIR} (#8810)

2025-09-25 14:05:35 +02:00

DataManip

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

DataStructs

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

Demos

remove no-op macros and dead code (pt 4) (#8037)

2025-01-26 07:49:50 +01:00

DistGeom

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

doxygen

update doxygen files and add new logo without text

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

Features

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

ForceField

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

Fuzz

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

Geometry

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

GraphMol

add Reaction From Smiles python wrapper (#8843)

2025-10-08 16:13:06 +02:00

JavaWrappers

ScsrHbondMrvError (#8646)

2025-09-29 17:30:50 +02:00

MinimalLib

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

ML

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

Numerics

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

PgSQL/rdkit

Set explicit COST=100 for SQL functions as suggested in #8711 (#8784)

2025-09-23 06:15:34 +02:00

Query

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

RDBoost

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

RDGeneral

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

RDStreams

cmake cleanup (#6814)

2023-11-10 15:32:54 +01:00

SimDivPickers

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +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