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ccefda882d4867a78c0bc75642b949cde9d09855
rdkit/Code/GraphMol/MolHash
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Greg Landrum ccefda882d Fixes #8654 (#8657) 
* Fixes #8654

* fix a logic error

* SWIG is sooooo much fun
2025-07-30 05:56:52 +02:00
..
Wrap
add HetAtomProtomerv2 (#7253)
2024-03-17 10:58:47 +01:00
catch_tests.cpp
Fixes #8654 (#8657)
2025-07-30 05:56:52 +02:00
CMakeLists.txt
improve handling of esters, amides, etc. in the v2 tautomer hash (#8173)
2025-01-24 16:11:38 +01:00
hashfunctions.cpp
Fixes #8654 (#8657)
2025-07-30 05:56:52 +02:00
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 HetAtomProtomerv2 (#7253)
2024-03-17 10:58:47 +01:00
normalize.cpp
Add a CXSMILES option to the MolHash (#5058)
2022-03-03 16:00:38 +01:00