yanfeiguan / rdchiral

Wrapper for RDKit's RunReactants to improve stereochemistry handling

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rdchiral

Wrapper for RDKit's RunReactants to improve stereochemistry handling

See rdchiral/main.py for a brief description of expected behavior and a few basic examples of how to use the wrapper.

See rdchiral/test/test_rdchiral.py for a small set of test cases described here

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Wrapper for RDKit's RunReactants to improve stereochemistry handling

License:MIT License


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Language:Jupyter Notebook 97.1%Language:Python 2.9%