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b9ba12f8f973a6a2591ec8ff0aec31c47d4f7adf
rdkit
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GraphMol
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PartialCharges
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Greg Landrum
b9ba12f8f9
Remove extra calls to python::register_exception_translator
2016-03-01 06:36:54 +01:00
..
Wrap
Remove extra calls to python::register_exception_translator
2016-03-01 06:36:54 +01:00
CMakeLists.txt
use SP3 params as default for sulfur; add tests for
#485
;
2015-04-21 06:48:52 +02:00
GasteigerCharges.cpp
first pass, using google style
2015-11-14 14:58:11 +01:00
GasteigerCharges.h
first pass, using google style
2015-11-14 14:58:11 +01:00
GasteigerParams.cpp
first pass, using google style
2015-11-14 14:58:11 +01:00
GasteigerParams.h
first pass, using google style
2015-11-14 14:58:11 +01:00
test1.cpp
first pass, using google style
2015-11-14 14:58:11 +01:00
