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Chem Grater

A chemoinformatics module that fragment molecules into sub-graphs.

'Grater' does not imply the object molecules with which this module converts are fat ones.

Required packages

python>=3.6
rdkit>=2018.03
networkx>=2.1

Install

pip install git+https://github.com/sshojiro/ChemGrater.git

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Tool for Cheminformatics: Extraction of Linear Fragments from Compounds

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