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Michael Deagen
Materials science // data interaction
Public
BigSMILES Toolkit
Edited
Aug 24, 2023
1 fork
Importers
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function bigsmiles_to_smarts_target(bigsmiles) {
const atomistic_graph = parse_bigsmiles(bigsmiles);
const subgraphs = get_molecular_subgraphs(atomistic_graph);
return get_smarts_target(subgraphs);
}
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