openchemlib-utils
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    openchemlib-utils

    openchemlib-utils

    NPM version build status npm download

    .

    $ npm i openchemlib-utils

    import OCL from 'openchemlib'; // version should be greater than 7.4

    import { getPathsInfo, initOCL } from 'openchemlib-utils';
    initOCL(OCL);

    const molecule = OCL.Molecule.fromSmiles('CCCCC');

    const paths = getPathsInfo(molecule, {
    fromLabel: 'H',
    toLabel: 'H',
    minLength: 1,
    maxLength: 4,
    });

    console.log(paths);

    We will add more examples in /examples.

    MIT