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ded960cc68d0cd1989cf68bb558bc41295045421
rdkit/Code/GraphMol/Fingerprints
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Greg Landrum c07c7220c7 more tuning of the substruct fingerprint
2010-11-22 04:12:00 +00:00
..
testExecs
initial import
2006-05-06 22:20:08 +00:00
AtomPairs.cpp
update copyright statements
2010-09-26 17:04:37 +00:00
AtomPairs.h
update copyright statements
2010-09-26 17:04:37 +00:00
CMakeLists.txt
sync with trunk
2010-09-10 05:12:41 +00:00
Fingerprints.cpp
more tuning of the substruct fingerprint
2010-11-22 04:12:00 +00:00
Fingerprints.h
more tuning of the substruct fingerprint
2010-11-22 04:12:00 +00:00
MorganFingerprints.cpp
correct handling of chirality and make it optional (now by default disabled);
2010-09-04 05:54:27 +00:00
MorganFingerprints.h
include ring-membership by default in the morgan fps
2010-09-15 05:59:27 +00:00
test1.cpp
another round of query fingerprint improvement
2010-11-20 15:23:42 +00:00
test_list.py
now all tests pass here as well
2009-02-03 05:26:10 +00:00
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