Python script that permits to encode molecules as molecular graph and compare easily the connectivity of two molecules
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Updated
Jan 28, 2022 - Python
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chemical-graph
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Different prototypes for detecting chemical graph presentation of the molecules into computer-readable format from image, IUPAC name
deep-learning cheminformatics deeplearning object-detection iupac chemical-graph molecule-detection structure2name name2structure
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Feb 8, 2021 - Java
Script to help in the creation of molecules xyz file from molecular graph (i.e. only connectivity).
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Updated
Jan 28, 2022 - Python
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