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454abb257c5d01efdbf237aed37ca2c3cffc13fd
rdkit
/
Code
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GraphMol
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ChemTransforms
History
Brian Kelley
66fa3c3a86
Reverts acciental molzip push
2020-12-08 17:04:07 -05:00
..
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
Reverts acciental molzip push
2020-12-08 17:04:07 -05:00
ChemTransforms.cpp
Add cxsmiles query atoms to CTAB parsers and writers (
#3261
)
2020-07-03 12:51:19 -04:00
ChemTransforms.h
Modernization: use nullptr (
#3143
)
2020-05-25 09:40:01 +02:00
CMakeLists.txt
switch to using target_compile_definitions instead of add_definitions (
#3350
)
2020-08-21 04:49:07 +02:00
MolFragmenter.cpp
Reverts acciental molzip push
2020-12-08 17:04:07 -05:00
MolFragmenter.h
Reverts acciental molzip push
2020-12-08 17:04:07 -05:00
testChemTransforms.cpp
Fixes
#3197
and
#3206
(
#3208
)
2020-06-04 13:27:29 -04:00
