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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

Project details


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Files for rdchiral, version 1.0.0
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