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rdkit
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ed62f46a4df4064bc2e5a2c84ed25b40df99a69a
rdkit
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Code
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SimDivPickers
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Greg Landrum
ed62f46a4d
require numpy 1.7, not 1.8
2015-12-01 04:39:28 +01:00
..
test_data
initial import
2006-05-06 22:20:08 +00:00
CMakeLists.txt
Fixes
#294
2014-08-03 12:03:35 +02:00
HierarchicalClusterPicker.cpp
require numpy 1.7, not 1.8
2015-12-01 04:39:28 +01:00
MaxMinPicker.cpp
require numpy 1.7, not 1.8
2015-12-01 04:39:28 +01:00
rdSimDivPickers.cpp
compiles without numpy warnings, all tests pass on ubuntu 15.04 with numpy 1.10
2015-11-28 06:49:34 +01:00
test_list.py
now all tests pass here as well
2009-02-03 05:26:10 +00:00
testMaxMin.py
python3 portability fixes for pandas and the ipython notebook
2014-09-11 23:49:45 +02:00
testPickers.py
removed bare except statements
2015-09-07 13:27:14 +02:00