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09aa009f197fb006e105f4dbd1339a2bf7ed55ac
rdkit
/
Code
/
GraphMol
/
MolHash
History
Vincent F. Scalfani
4633c99498
Fixes
#6472
- remove aromatic bond flags in Molhash anonymous graph (
#7027
)
...
* remove aromatic bond flags and add test. * update cookbook molhash results.
2024-01-09 06:12:03 +01:00
..
Wrap
Fixes
#6479
(
#6482
)
2023-07-13 19:29:06 +02:00
catch_tests.cpp
Fixes
#6472
- remove aromatic bond flags in Molhash anonymous graph (
#7027
)
2024-01-09 06:12:03 +01:00
CMakeLists.txt
make the catch tests build faster (
#5284
)
2022-05-17 04:39:33 +02:00
hashfunctions.cpp
Fixes
#6472
- remove aromatic bond flags in Molhash anonymous graph (
#7027
)
2024-01-09 06:12:03 +01:00
mf.h
Add a CXSMILES option to the MolHash (
#5058
)
2022-03-03 16:00:38 +01:00
MolHash.h
Add a CXSMILES option to the MolHash (
#5058
)
2022-03-03 16:00:38 +01:00
nmmolhash.h
Add a new tautomer mol hash (
#6289
)
2023-04-26 16:57:39 +02:00
normalize.cpp
Add a CXSMILES option to the MolHash (
#5058
)
2022-03-03 16:00:38 +01:00
