Wrapper for RDKit's RunReactants to improve stereochemistry handling
Project description
rdchiral
Wrapper for RDKit's RunReactants to improve stereochemistry handling
Requirements
- RDKit (version >= 2019)
- Python (version >= 3.5)
Installation
To install RDChiral run
pip install rdchiral
Documentation
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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