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  1. screening_mgmt screening_mgmt Public

    Forked from a-hel/screening_mgmt

    Screening management package for data management

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    Autoencoder network for learning a continuous representation of molecular structures. Work-in-progress to optimise this for metabolomics data.

    Jupyter Notebook

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    Forked from glasgowcompbio/pyBatman

    A pipeline to infer metabolite concentrations from 1D NMR data using BATMAN (Bayesian AuTomated Metabolite Analyser for NMR)

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  4. precursor-alignment precursor-alignment Public

    Forked from joewandy/precursor-alignment

    Ionization product clustering of LC-MS peaks and using the clusters to achieve better peak alignment

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  5. hlda hlda Public

    Forked from joewandy/hlda

    Gibbs sampler for the Hierarchical Latent Dirichlet Allocation topic model

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  6. multifile_lda multifile_lda Public

    Forked from joewandy/multifile_lda

    Extension to Latent Dirichlet Allocation (LDA), where topics are now shared across multiple files (collections).

    Jupyter Notebook