llazzaro chem-fingerprints issues - Githubissues

llazzaro / chem-fingerprints

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update to latest timsort code

#16 GoogleCodeExporter opened 9 years ago
0
--substruct does not work properly

#15 GoogleCodeExporter opened 9 years ago
0
parse molecules from strings

#14 GoogleCodeExporter opened 9 years ago
0
length-specific popcount functions

#13 GoogleCodeExporter opened 9 years ago
1
chose an alternate popcount algorithm

#12 GoogleCodeExporter closed 9 years ago
1
Detect bad input structures and ... do what with them?

#11 GoogleCodeExporter opened 9 years ago
0
"omit self" option when doing a similarity search

#10 GoogleCodeExporter closed 9 years ago
3
many-to-many similarity search optimization

#9 GoogleCodeExporter closed 9 years ago
2
Tversky, Euclidiean, and other similarity scoring terms

#8 GoogleCodeExporter opened 9 years ago
0
mapping from bit to corresponding atom indicies

#7 GoogleCodeExporter opened 9 years ago
1
command-line tool to describe fingerprint bits

#6 GoogleCodeExporter opened 9 years ago
0
User-defined patterns

#5 GoogleCodeExporter opened 9 years ago
0
Indigo support

#4 GoogleCodeExporter opened 9 years ago
0
CDK support

#3 GoogleCodeExporter opened 9 years ago
4
support for multiple filenames on the structure2fps programs?

#2 GoogleCodeExporter closed 9 years ago
1
SDF readers don't handle ChEMBL data set

#1 GoogleCodeExporter closed 9 years ago
1