Greg Landrum
24f1737839
Remove a bunch of Python2-related warts ( #2315 )
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* remove all of the "from __future__" imports
* remove the first batch of rdkit.six imports/uses
* next step of rdkit.six removal
* removing xrange, range, and some maps
* next round of removals
* next round of cleanups
* fix inchi test
* last bits of "from rdkit.six" are gone
* and the last of the six stuff is gone
* strange importlib problem
2019-03-06 20:43:49 -05:00
Greg Landrum
9dbfbab111
Fixes #1406 ( #1408 )
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* Fixes #1406
* Fixes #1406
2017-05-08 08:02:58 +02:00
gedeck
e9af48ffd7
Issue1071/yapf ( #1078 )
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* Issue #1071 : add yapf configuration file
* yapf formatting of Code directory
* yapf formatting of Contrib directory
* yapf formatting of Data directory
* yapf formatting of Docs directory
* yapf formatting of External directory
* yapf formatting of Projects directory
* yapf formatting of Regress directory
* yapf formatting of Scripts directory
* yapf formatting of Web directory
* yapf formatting of rdkit directory
2016-09-23 04:58:46 +02:00
Greg Landrum
2513e73465
merge mmpa branch
2015-10-30 04:45:58 +01:00
Greg Landrum
d0ec392006
Fixes #564
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Tested with the commands in readme.txt
2015-08-14 04:24:14 +02:00
Greg Landrum
98c4750bae
Fixes #561
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patch from Andrew Dalke
2015-08-14 04:12:39 +02:00
Greg Landrum
91f8c1e19d
switch to using rdMMPA; note that this currently does *not* return the same results
2015-07-15 15:35:43 +02:00
Riccardo Vianello
95f60d21bc
python3 portability fixes for pandas and the ipython notebook
2014-09-11 23:49:45 +02:00
Greg Landrum
3ea8ea7717
update docs
2013-08-14 12:23:00 +02:00
Greg Landrum
4424652743
this is what Jameed sent, with sample files moved to data dir
2013-08-14 12:07:25 +02:00
Greg Landrum
9aef6a66e5
move samples to data dir
2013-08-14 12:04:53 +02:00
Greg Landrum
4e0300020a
update from Jameed Hussain, including examples
2013-01-08 19:56:05 +00:00
Greg Landrum
244a72e88e
add MMPA code contributed by Jameed Hussain at GSK
2013-01-07 14:46:11 +00:00
