Metadata-Version: 2.0
Name: scikit-chem
Version: 0.0.1
Summary: A set of python modules for cheminformatics
Home-page: http://github.com/richlewis42/scikit-chem
Author: Richard Lewis
Author-email: rl403@cam.ac.uk
License: new BSD
Download-URL: https://github.com/richlewis42/scikit-chem/archive/master.zip
Platform: UNKNOWN
Classifier: Development Status :: 1 - Planning
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: Education
Classifier: Intended Audience :: Developers
Classifier: License :: OSI Approved :: BSD License
Classifier: Natural Language :: English
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 2
Classifier: Programming Language :: Python :: 2.6
Classifier: Programming Language :: Python :: 2.7
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.3
Classifier: Programming Language :: Python :: 3.4
Classifier: Operating System :: Microsoft :: Windows
Classifier: Operating System :: POSIX
Classifier: Operating System :: Unix
Classifier: Operating System :: MacOS
Classifier: Topic :: Software Development
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Dist: pandas
Requires-Dist: numpy
Requires-Dist: scikit-learn

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# scikit-chem

Quick attempt at more straightforwardly integrating the Scientific Python Stack with the RDKit Cheminformatics library.

- RDKit objects are inherited from, and their APIs are made more Pythonic(to an extent).
- Longer term goals are to integrate as many webservices as possible

##Note

- Work in Progress

- Speed is not high on priority list. A demonstration of the convenience is the aim - much more would be required to maintain the RDKit levels of efficiency.  The end goal of the project may be simply to feed changes back into RDKit


