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  1. subformula_graph subformula_graph Public

    A loose collection of modules which can read mass spectral data (EI-MS or MS/MS), produce a ranked list of formula annotations using the parent subformula graph (PSG) method, and then for every (po…

    Python 9 5

  2. Mass-Spec-Analysis Mass-Spec-Analysis Public

    A frontend for methods to analyse mass spectra

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  3. bf-interpreter bf-interpreter Public

    A brainfuck interpreter in C. Just for fun.

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  4. seanli9604.github.io seanli9604.github.io Public

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  5. edboplus edboplus Public

    Forked from doyle-lab-ucla/edboplus

    EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.

    Python