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connorcoley / rdchiral

Wrapper for RDKit's RunReactants to improve stereochemistry handling
MIT License
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add setup for pypi, check dependencies in __init__, and update readme #13

Closed thomasstruble closed 4 years ago

thomasstruble commented 4 years ago

Added setup.py for packaging in pypi. Added a check for dependencies in init 1) that rdkit is installed and 2) rdkit version has to be above 2019 Updated README to point the install to pip