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