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  1. exciton_coupling exciton_coupling Public

    Various methods to calculate the excitonic coupling in molecular pairs

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  2. compchem-scripts compchem-scripts Public

    A repository for the scripts that I find useful when dealing with computational chemistry data from gaussian/turbomole/tinker etc packages. Some scripts are a lot cleaner/more user friendly than ot…

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  3. 2HCvs2HP 2HCvs2HP Public

    For data analysis

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    Markdown - you can mark up titles, lists, tables, etc., in a much cleaner, readable and accurate way if you do it with HTML.

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    Beginner project scraping a private facebook group with python