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3358ec592580bae8a22faee90336f396db69de01
rdkit
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Code
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GraphMol
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PartialCharges
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Riccardo Vianello
3358ec5925
initial set of changes introducing python3 support
2014-06-17 18:26:41 +02:00
..
Wrap
initial set of changes introducing python3 support
2014-06-17 18:26:41 +02:00
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
fix github-20
2013-04-20 05:59:18 +00:00
GasteigerParams.h
fix github-20
2013-04-20 05:59:18 +00:00