rdkit/Code/GraphMol/ForceFieldHelpers/MMFF at master - rdkit - Gitea: Git with a cup of tea

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Kevin Boyd 232e4ffc84 Add Getter functions to MMFF property python interface (#9254 )

2026-04-30 17:06:31 +02:00

..

Unset executable flag

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

AtomTyper.cpp

Add Getter functions to MMFF property python interface (#9254 )

2026-04-30 17:06:31 +02:00

AtomTyper.h

Add Getter functions to MMFF property python interface (#9254 )

2026-04-30 17:06:31 +02:00

Builder.cpp

Cleanup/get atoms and bonds (#9243 )

2026-04-18 05:22:09 +02:00

Builder.h

swap boost::tuple to std::tuple (#5851 )

2022-12-16 16:01:19 +01:00

CMakeLists.txt

Cleanup some cmake dependencies (#3077 )

2020-04-17 14:34:23 +02:00

MMFF.h

Fix some more mem errors in 2024.09.1 (#7899 )

2024-10-10 16:08:50 +02:00

testMMFFHelpers.cpp

Refactor iostreams includes (#8846 )

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

testMultiThread.cpp

Refactor iostreams includes (#8846 )

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