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  1. MFQL-for-Dereplication-of-Natural-Products-Using-LipidPlorer MFQL-for-Dereplication-of-Natural-Products-Using-LipidPlorer Public

    MFQL files for Natural Products Dereplication

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  2. DAFdiscovery DAFdiscovery Public

    DAFdiscovery is meant to disseminate STOCSY calculation for NP scientists to enable data fusion and discovery of compounds of interest from correlation calculations. The use of .csv files is meant …

    Jupyter Notebook 1

  3. DBsimilarity DBsimilarity Public

    A method proposed to help natural product researchers analyze chemical data obtained from databases.

    Jupyter Notebook 1

  4. DoE_pipeline DoE_pipeline Public

    This is a homemade pipeline for Design of Experiments. It is far from complete but it does go up to Response Surface plot

    Jupyter Notebook 1

  5. Gradient_verification_for_HPLC Gradient_verification_for_HPLC Public

    We will explore the process of calculating and visualizing the usage of solvents in a preparative High-Performance Liquid Chromatography (HPLC) system. Our focus will be on the dynamic changes in s…

    Jupyter Notebook 1

  6. BATCH_aligner BATCH_aligner Public

    to ensure that features detected across multiple batches of mass spectrometry (MS) data are accurately aligned

    Jupyter Notebook 1