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Retrieve the molecules from the ChEBI site, and parse them and extract the information important for the execution of the Nauty mckay algorithm.

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molecular_isomorphism

Retrieve the molecules from the ChEBI site, and parse them and extract the information important for the execution of the Nauty mckay algorithm.

IMPORTANT !

1 - you must install ChEBI 3-stars complete SDF file from this link and put it in the root of project link : https://ftp.ebi.ac.uk/pub/databases/chebi/SDF/ChEBI_complete_3star.sdf.gz

2- download bioservice library pip install bioservices

3- download mysql-connector library pip install mysql-connector-python

4- download networkx library pip install networkx

5- download streamlit library pip install streamlit

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Retrieve the molecules from the ChEBI site, and parse them and extract the information important for the execution of the Nauty mckay algorithm.

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