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tkimhofer/README.md

Hi there 👋

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  1. pym8 pym8 Public

    Python version of metabom8 (pronounced "py-mate") for NMR data import and and pre-processing. Significant run time improvements due to parallelisation of selected functions, interactive graphics (m…

    HTML 1 1

  2. opls opls Public

    Collection of modelling algorithms for NMR & MS data, including principal components analysis (PLS), (orthogonal) partial least squares (O-PLS, PLS), non-negative least squares regression (NNLSQ). …

    Python 2 1

  3. msbrowser msbrowser Public

    An RShiny dashboard for visualisation of mass spectrometry (MS) data and fine-tuning of xcms pre-processing parameters

    R 7 2

  4. BTSimilarity_FastDBSearch BTSimilarity_FastDBSearch Public

    Fast spectral similarity matching based on binary tree distances (Python implementation)

  5. trp_tq trp_tq Public

    Targeted MS: Peak deconvolution based on iterative least squares using log-normal distribution and limited-BFGS optimiser (tensorflow, scipy). De-noising and chromatogram consensus peak modelling u…

    Python

  6. MSFileParserApp MSFileParserApp Public

    Python dashboard for parsing targeted MS files (Skyline) into 2D matrix format, using gunicorn as WSGI server.

    Python