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    pyisocalc

    pyisocalc

    Isotopic pattern calculator in python 3.x

    An isotopic pattern calculator written in Python 3. Given a chemical formula, it calculates the full isotopic distribution and simulates a mass spectrum. Dependencies: Python 3.6+, numpy, matplotlib, tkinter. The old python 2.x code has been updated and given a GUI. It's also a lot faster now.
    Downloads: 1 This Week
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