Wrapper for RDKit's RunReactants to improve stereochemistry handling

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License: MIT License

Author: Connor Coley

Requires: Python >=3.5

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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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Avatar for mefortunato from gravatar.com mefortunato Avatar for thomasstruble from gravatar.com thomasstruble

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These details have not been verified by PyPI
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View statistics for this project via Libraries.io, or by using our public dataset on Google BigQuery

Meta

License: MIT License

Author: Connor Coley

Requires: Python >=3.5

Classifiers

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1.1.0

This version

1.0.0

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