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rdkit
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6dcbdb246b751fb9f6820600f78a2431b04ec757
rdkit
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Code
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GraphMol
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PartialCharges
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Greg Landrum
6dcbdb246b
at this point I think all descriptors and fingerprints work
2012-02-25 07:14:29 +00:00
..
Wrap
remove exe property from source files
2011-01-13 04:22:56 +00:00
CMakeLists.txt
merge in a set of changes from Riccardo V. to install .h files as well;
2010-09-04 14:07:22 +00:00
GasteigerCharges.cpp
at this point I think all descriptors and fingerprints work
2012-02-25 07:14:29 +00:00
GasteigerCharges.h
move the _VSA descriptors into C++
2011-03-21 05:02:12 +00:00
GasteigerParams.cpp
at this point I think all descriptors and fingerprints work
2012-02-25 07:14:29 +00:00
GasteigerParams.h
at this point I think all descriptors and fingerprints work
2012-02-25 07:14:29 +00:00