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rdkit 202503.1-4
  • links: PTS, VCS
  • area: main
  • in suites: trixie
  • size: 220,160 kB
  • sloc: cpp: 399,240; python: 77,453; ansic: 25,517; java: 8,173; javascript: 4,005; sql: 2,389; yacc: 1,565; lex: 1,263; cs: 1,081; makefile: 578; xml: 229; fortran: 183; sh: 105

Folder: Fingerprints

d .. (parent)
d d rwxr-xr-x 4,096 Wrap
d d rwxr-xr-x 83 testData
d d rwxr-xr-x 29 testExecs
- - rw-r--r-- 10,648 AtomPairGenerator.cpp
- - rw-r--r-- 7,309 AtomPairGenerator.h
- - rw-r--r-- 13,602 AtomPairs.cpp
- - rw-r--r-- 12,649 AtomPairs.h
- - rw-r--r-- 1,467 CMakeLists.txt
- - rw-r--r-- 29,317 FingerprintGenerator.cpp
- - rw-r--r-- 19,504 FingerprintGenerator.h
- - rw-r--r-- 14,689 FingerprintUtil.cpp
- - rw-r--r-- 5,558 FingerprintUtil.h
- - rw-r--r-- 19,010 Fingerprints.cpp
- - rw-r--r-- 6,919 Fingerprints.h
- - rw-r--r-- 33,737 MACCS.cpp
- - rw-r--r-- 774 MACCS.h
- - rw-r--r-- 8,360 MHFP.cpp
- - rw-r--r-- 11,133 MHFP.h
- - rw-r--r-- 5,821 MorganFingerprints.cpp
- - rw-r--r-- 9,725 MorganFingerprints.h
- - rw-r--r-- 17,482 MorganGenerator.cpp
- - rw-r--r-- 12,594 MorganGenerator.h
- - rw-r--r-- 12,438 PatternFingerprints.cpp
- - rw-r--r-- 9,662 RDKitFPGenerator.cpp
- - rw-r--r-- 6,670 RDKitFPGenerator.h
- - rw-r--r-- 8,327 TopologicalTorsionGenerator.cpp
- - rw-r--r-- 5,304 TopologicalTorsionGenerator.h
- - rw-r--r-- 27,826 catch_tests.cpp
- - rw-r--r-- 17,901 fpgen_catch_tests.cpp
- - rw-r--r-- 128,169 test1.cpp
- - rw-r--r-- 85,654 testFingerprintGenerators.cpp
- - rw-r--r-- 4,494 testMHFPFingerprint.cpp