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gedeck and greglandrum 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
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data add sa score Oct 2, 2013
README add sa score Oct 2, 2013
UnitTestSAScore.py Issue1071/yapf (#1078) Sep 23, 2016
fpscores.pkl.gz efficiency patch for the sa score code from Nick Firth Oct 5, 2013
sascorer.py Issue1071/yapf (#1078) Sep 23, 2016

README

RDKit-based implementation of the method described in:

Estimation of Synthetic Accessibility Score of Drug-like Molecules based on Molecular Complexity and Fragment Contributions
Peter Ertl and Ansgar Schuffenhauer
Journal of Cheminformatics 1:8 (2009)
http://www.jcheminf.com/content/1/1/8

Contribution from Peter Ertl and Greg Landrum