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ba7deb89a09080cdc27e2504e304605814d98d21
rdkit/Code/GraphMol/MolInterchange
History
Greg Landrum 7ba3be0597 Fixes #5923 (#7039)
2024-01-19 18:43:30 +01:00
..
test_data
Support for a JSON-based molecule interchange format (#1798)
2018-04-02 05:12:03 +02:00
Wrap
Reformat Python code for 2023.03 release (#6294)
2023-04-28 06:53:56 +02:00
CMakeLists.txt
make the catch tests build faster (#5284)
2022-05-17 04:39:33 +02:00
details.h
Change IUPAC metal->non-metal single bonds to dative (#6038)
2023-02-06 04:37:32 +01:00
molinterchange_catch.cpp
Fixes #5923 (#7039)
2024-01-19 18:43:30 +01:00
MolInterchange.h
Reformat C/C++ code ahead of 2023.03 release (#6295)
2023-04-28 04:42:35 +02:00
Parser.cpp
atropisomer handling added (#6903)
2023-12-22 04:58:18 +01:00
test1.cpp
Support SubstanceGroups and StereoGroups in JSON (#5909)
2023-01-04 16:29:36 +01:00
Writer.cpp
atropisomer handling added (#6903)
2023-12-22 04:58:18 +01:00
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