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