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A set of python modules for cheminformatics

Project Description

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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
Release History

Release History

This version
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0.0.6

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0.0.4

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0.0.3

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0.0.2

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0.0.1

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scikit_chem-0.0.6-py2.py3-none-any.whl (102.0 kB) Copy SHA256 Checksum SHA256 2.7 Wheel Aug 8, 2016
scikit_chem-0.0.6-py3-none-any.whl (102.0 kB) Copy SHA256 Checksum SHA256 3.5 Wheel Aug 8, 2016
scikit-chem-0.0.6.tar.gz (58.3 kB) Copy SHA256 Checksum SHA256 Source Aug 8, 2016

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