Script to perform reactions on molecules using RDKIT
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react
.gitignore
LICENSE
README.md
requirements.txt
setup.cfg
setup.py

README.md

Script to perform reactions on molecules using RDKIT

Install

Requirements:

pip install git+https://github.com/3D-e-Chem/rdkit-react.git

Usage

react --smarts reactions.smarts input.sd output.sd