8000 GitHub - Python3pkg/CGRtools: simple cli RDF to condended graph of reaction SDF converter
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CGRTools

CGR based reactions manipulations.

based on DOI: 10.1021/ci300149n DOI: 10.1007/s10822-005-9008-0

usage

cgrtools --help

INSTALL

pip install -U git+https://github.com/stsouko/CGRtools.git@master#egg=CGRtools --process-dependency-links --allow-all-external

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simple cli RDF to condended graph of reaction SDF converter

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