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8ffcfd7149a7ff4e8cfb5df7e362da8ffcdb3339
rdkit/Code/GraphMol/Fingerprints
History
Greg Landrum 1c95a978dd fix a typo
2012-04-06 05:42:53 +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
cleanup and documentation
2012-02-26 06:07:21 +00:00
MorganFingerprints.h
at this point I think all descriptors and fingerprints work
2012-02-25 07:14:29 +00:00
test1.cpp
fix a typo
2012-04-06 05:42:53 +00:00
test_list.py
now all tests pass here as well
2009-02-03 05:26:10 +00:00
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