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rdkit/Code/GraphMol/MolHash
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Greg Landrum 3cff4d08af fix a problem with tautomeric systems being extended too far (#7200) 
* fix a problem with tautomeric systems being extended too far

* add backwards incompatibility note
2024-03-15 16:42:22 +01:00
..
Wrap
Fixes #6479 (#6482)
2023-07-13 19:29:06 +02:00
catch_tests.cpp
fix a problem with tautomeric systems being extended too far (#7200)
2024-03-15 16:42:22 +01:00
CMakeLists.txt
make the catch tests build faster (#5284)
2022-05-17 04:39:33 +02:00
hashfunctions.cpp
fix a problem with tautomeric systems being extended too far (#7200)
2024-03-15 16:42:22 +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