Greg Landrum dac565e485 add the ability to ignore atoms in the TT and AP fingerprints

2011-06-15 03:20:10 +00:00

..

testExecs

initial import

2006-05-06 22:20:08 +00:00

AtomPairs.cpp

add the ability to ignore atoms in the TT and AP fingerprints

2011-06-15 03:20:10 +00:00

AtomPairs.h

add the ability to ignore atoms in the TT and AP fingerprints

2011-06-15 03:20:10 +00:00

CMakeLists.txt

update a couple build files

2011-03-28 11:08:04 +00:00

Fingerprints.cpp

remove exe property from source files

2011-01-13 04:22:56 +00:00

Fingerprints.h

switch to having the RDKit fingerprinter default to 2 bits per path instead of 4

2011-01-02 11:17:15 +00:00

MorganFingerprints.cpp

checkin some fragment and fingerprint changes. these are not yet well tested

2011-01-14 06:24:03 +00:00

MorganFingerprints.h

checkin some fragment and fingerprint changes. these are not yet well tested

2011-01-14 06:24:03 +00:00

test1.cpp

add the ability to ignore atoms in the TT and AP fingerprints

2011-06-15 03:20:10 +00:00

test_list.py

now all tests pass here as well

2009-02-03 05:26:10 +00:00