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ba7deb89a09080cdc27e2504e304605814d98d21
rdkit
/
Code
/
GraphMol
/
ChemTransforms
History
Ricardo Rodriguez
9e1dbd2f33
Fixes
#7327
(
#7328
)
...
* add tests * fix
2024-04-08 06:12:56 +02:00
..
testData
initial support for reading query files. Python wrapper still needs to be done.
2012-12-17 10:28:35 +00:00
catch_tests.cpp
Fixes
#7327
(
#7328
)
2024-04-08 06:12:56 +02:00
ChemTransforms.cpp
Fixes
#7327
(
#7328
)
2024-04-08 06:12:56 +02:00
ChemTransforms.h
RGD and Stereo Groups (
#6247
)
2023-04-01 07:58:52 +02:00
CMakeLists.txt
Add depiction coordinates to molzip (
#5993
)
2023-01-28 04:46:39 +01:00
MolFragmenter.cpp
Enhance molzip to properly handle RGroupDecompositions (
#7202
)
2024-03-19 17:02:45 +01:00
MolFragmenter.h
Enhance molzip to properly handle RGroupDecompositions (
#7202
)
2024-03-19 17:02:45 +01:00
testChemTransforms.cpp
Fix some build warnings (
#6618
)
2023-08-11 06:04:55 +02:00
