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rdkit 202209.3-1
  • links: PTS, VCS
  • area: main
  • in suites: bookworm
  • size: 203,880 kB
  • sloc: cpp: 334,239; python: 80,247; ansic: 24,579; java: 7,667; sql: 2,123; yacc: 1,884; javascript: 1,358; lex: 1,260; makefile: 576; xml: 229; fortran: 183; cs: 181; sh: 101

Folder: ChemReactions

d .. (parent)
d d rwxr-xr-x 4,096 Enumerate
d d rwxr-xr-x 4,096 Wrap
d d rwxr-xr-x 4,096 testData
d d rwxr-xr-x 45 tutorial
- - rw-r--r-- 3,883 CDXMLParser.cpp
- - rw-r--r-- 2,297 CMakeLists.txt
- - rw-r--r-- 10,880 DaylightParser.cpp
- - rw-r--r-- 14,482 MDLParser.cpp
- - rw-r--r-- 3,777 MoleculeParser.cpp
- - rw-r--r-- 2,993 PNGParser.cpp
- - rw-r--r-- 3,612 PreprocessRxn.cpp
- - rw-r--r-- 2,874 PreprocessRxn.h
- - rw-r--r-- 26,626 Reaction.cpp
- - rw-r--r-- 19,214 Reaction.h
- - rw-r--r-- 3,688 ReactionDepict.cpp
- - rw-r--r-- 8,806 ReactionFingerprints.cpp
- - rw-r--r-- 5,844 ReactionFingerprints.h
- - rw-r--r-- 12,147 ReactionParser.h
- - rw-r--r-- 8,795 ReactionPickler.cpp
- - rw-r--r-- 4,315 ReactionPickler.h
- - rw-r--r-- 78,882 ReactionRunner.cpp
- - rw-r--r-- 4,865 ReactionRunner.h
- - rw-r--r-- 13,525 ReactionUtils.cpp
- - rw-r--r-- 3,151 ReactionUtils.h
- - rw-r--r-- 8,693 ReactionWriter.cpp
- - rw-r--r-- 13,212 SanitizeRxn.cpp
- - rw-r--r-- 6,591 SanitizeRxn.h
- - rw-r--r-- 45,476 catch_tests.cpp
- - rw-r--r-- 1,747 license.txt
- - rw-r--r-- 269,076 testReaction.cpp
- - rw-r--r-- 23,914 testReactionFingerprints.cpp