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8eb02b8bedfaf6d011e917e42af4e38f0e52aad0
rdkit
/
Code
/
GraphMol
/
MolHash
History
Greg Landrum
71935ecae3
Fixes
#8405
(
#8406
)
2025-04-04 15:13:39 +02:00
..
Wrap
add HetAtomProtomerv2 (
#7253
)
2024-03-17 10:58:47 +01:00
catch_tests.cpp
Fixes
#8405
(
#8406
)
2025-04-04 15:13:39 +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
#8405
(
#8406
)
2025-04-04 15:13:39 +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
