Xiangyan93 / rxntools

Python package for handling chemical reactions based on RDKit.

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rxntools

Python package for handling chemical reactions based on RDKit.

Requirements

  • RDKit (version >= 2020.03.3.0)
  • Python (version >= 3.6)

Installation

pip install rxntools

Usage

See notebook

About

Python package for handling chemical reactions based on RDKit.

License:MIT License


Languages

Language:Jupyter Notebook 70.8%Language:Python 29.2%