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695ce7de2cb4670bf4b4cb4fa5400aec89631337
rdkit/Code/GraphMol/Fingerprints
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Greg Landrum 11c42cf1b2 fix an oversight: add getHashedMorganFingerprint
2012-07-02 07:03:55 +00:00
..
testExecs
initial import
2006-05-06 22:20:08 +00:00
AtomPairs.cpp
first pass at adding support for atom invariants in the rdkit, atom-pairs, and topological torsions fingerprints
2012-03-25 12:58:42 +00:00
AtomPairs.h
first pass at adding support for atom invariants in the rdkit, atom-pairs, and topological torsions fingerprints
2012-03-25 12:58:42 +00:00
CMakeLists.txt
at this point I think all descriptors and fingerprints work
2012-02-25 07:14:29 +00:00
Fingerprints.cpp
first pass at adding support for atom invariants in the rdkit, atom-pairs, and topological torsions fingerprints
2012-03-25 12:58:42 +00:00
Fingerprints.h
first pass at adding support for atom invariants in the rdkit, atom-pairs, and topological torsions fingerprints
2012-03-25 12:58:42 +00:00
MorganFingerprints.cpp
fix an oversight: add getHashedMorganFingerprint
2012-07-02 07:03:55 +00:00
MorganFingerprints.h
fix an oversight: add getHashedMorganFingerprint
2012-07-02 07:03:55 +00:00
test1.cpp
fix an oversight: add getHashedMorganFingerprint
2012-07-02 07:03:55 +00:00
test_list.py
now all tests pass here as well
2009-02-03 05:26:10 +00:00
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