Ric
880a8e5725
Reformat Python code for 2023.03 release ( #6294 )
...
* run yapf
* run isort
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Co-authored-by: Greg Landrum <greg.landrum@gmail.com >
2023-04-28 06:53:56 +02:00
Greg Landrum
6dd6a9a4ec
update benchmarking scripts
2019-04-03 08:02:39 +02:00
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
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
Paolo Tosco
0b1831b3e4
Timings on Windows with Python 3 ( #1067 )
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* - Small change to enable timings to be collected on Windows with Python 3
* - better Python 3 fix for timings.py
2016-09-20 04:59:57 +02:00
Greg Landrum
b8d25f431f
get the timing benchmarks working on py3
2015-11-05 03:25:34 +01:00
Riccardo Vianello
95f60d21bc
python3 portability fixes for pandas and the ipython notebook
2014-09-11 23:49:45 +02:00
Greg Landrum
aa7095984e
merge
2013-12-03 05:11:30 +01:00
Greg Landrum
1d226f7143
add a test or two
2010-02-18 05:34:18 +00:00
Greg Landrum
7268c21448
add two more tests
2010-02-08 08:32:18 +00:00
Greg Landrum
104efc5b60
add some data and scripts for regression testing and benchmarking
2009-06-12 05:24:49 +00:00
