Greg Landrum
24f1737839
Remove a bunch of Python2-related warts ( #2315 )
...
* 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 )
...
* 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
Andrew Dalke
36299f16b2
removed bare except but did not test because I don't have the 'requests' library
2015-09-07 13:08:07 +02:00
Riccardo Vianello
95f60d21bc
python3 portability fixes for pandas and the ipython notebook
2014-09-11 23:49:45 +02:00
pzc
370f758a48
Train ChEMBL-based models
2014-02-03 16:29:40 +01:00
pzc
9180ca288b
Documentation
2014-02-03 16:26:36 +01:00
pzc
bc2b988cad
added p_con.py
2014-02-03 12:58:05 +01:00
pzc
ca56904303
renamed test to test3
2014-02-03 12:53:58 +01:00
Maltos
eb43c80b48
new Class-File to create Models and predict activity using Model for Compounds of Accession-Number or SDF-File
2014-01-31 12:37:28 +01:00
maltos
aab4872819
Create readme.md
2014-01-27 13:49:26 +01:00
