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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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