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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


  • 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
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File Name & Checksum SHA256 Checksum Help Version File Type Upload Date
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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