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    41 repositories

    • mwFileStatusWebsite

      Public
      Repository hosting the Metabolomics Workbench File Status Website. A Third party website containing file status and validation information for all publicly available MW analysis data files.
      HTML
      •
      BSD 3-Clause Clear License
      •0•4•0•0•Updated Oct 6, 2024Oct 6, 2024

    • manuscript.ICIKendallTau

      Public
      correlationmissing-data
      R
      •
      Creative Commons Attribution 4.0 International
      •0•0•1•0•Updated Oct 2, 2024Oct 2, 2024

    • gpu_tracker

      Public
      Context manager and CLI that tracks the computational-resource-usage of a code block or shell command, particularly the GPU usage.
      Python
      •
      Other
      •1•4•6•0•Updated Sep 25, 2024Sep 25, 2024

    • icikt

      Public
      Python
      •
      Other
      •0•1•3•0•Updated Sep 10, 2024Sep 10, 2024

    • MESSES

      Public
      MESSES (Metadata from Experimental SpreadSheets Extraction System) is a Python package that facilitates the conversion of tabular data into other formats.
      Python
      •
      Other
      •0•0•5•0•Updated Sep 4, 2024Sep 4, 2024

    • academic_tracker

      Public
      Academic Tracker is a package that can search PubMed, Crossref, ORCID, and Google Scholar for publications given a list of authors or publication citations.
      pythonpublications
      Python
      •
      Other
      •5•14•1•0•Updated Sep 4, 2024Sep 4, 2024

    • ICIKendallTau

      Public
      Information-Content-Informed Kendall-tau in R
      rcorrelationmissingness
      R
      •
      Other
      •1•6•7•0•Updated Aug 9, 2024Aug 9, 2024

    • categoryCompare2

      Public
      Enables Gene Ontology (and other feature annotation) enrichment calculations and comparisons between feature sets.
      bioinformaticsgene-setsrgene-expressionrstatsbioconductorgene-annotation
      R
      •
      Other
      •1•1•19•0•Updated Jul 26, 2024Jul 26, 2024

    • mwtab

      Public
      The mwtab package is a Python library that facilitates reading and writing files in mwTab format used by the Metabolomics Workbench for archival of Mass Spectrometry (MS) and Nuclear Magnetic Resonance (NMR) experimental data.
      pythonbioinformaticsmetabolomicsworkbenchmwtab
      Python
      •
      BSD 3-Clause Clear License
      •2•12•6•0•Updated Jul 17, 2024Jul 17, 2024

    • conwell-manuscript.ChronicPancreatitisUrineMetabolomics

      Public
      R
      •0•0•1•0•Updated Jun 27, 2024Jun 27, 2024

    • moseleybioinformaticslab.r-universe.dev

      Public
      maintaining the information for r-universe
      0•0•0•0•Updated Apr 10, 2024Apr 10, 2024

    • visualizationQualityControl

      Public
      Visualization methods for omics dataset quality control
      bioinformaticsrvisualizationquality-controlcorrelation
      R
      •
      Other
      •5•9•8•0•Updated Apr 8, 2024Apr 8, 2024

    • ScanCentricPeakCharacterization

      Public
      R package for scan-centric, frequency based peak characterization of mass spectrometry
      R
      •
      Other
      •0•0•13•0•Updated Mar 28, 2024Mar 28, 2024

    • pdb_eda

      Public
      A Python tool for parsing and analyzing electron density maps data available from the worldwide Protein Data Bank
      Python
      •
      Other
      •1•11•0•0•Updated Sep 28, 2023Sep 28, 2023

    • STRINGDatabaseManipulation

      Public
      R
      •
      Other
      •0•0•5•0•Updated Sep 28, 2023Sep 28, 2023

    • kegg_pull

      Public
      Package that facilitates pulling database entries from KEGG via its REST API
      Python
      •
      Other
      •1•9•2•0•Updated Aug 30, 2023Aug 30, 2023

    • manuscript.subsamplingCorrelation

      Public
      how much of features / samples do we need to recreate full data correlations
      R
      •0•0•0•0•Updated Jul 3, 2023Jul 3, 2023

    • GOcats

      Public
      A tool for categorizing Gene Ontology into subgraphs of user-defined emergent concepts
      Python
      •
      Other
      •2•7•3•0•Updated Jun 16, 2023Jun 16, 2023

    • miagis

      Public
      Generate and validate GIS metadata.
      pythongis
      Python
      •
      Other
      •1•0•0•0•Updated Feb 28, 2023Feb 28, 2023

    • md_harmonize

      Public
      Python
      •
      Other
      •0•0•1•0•Updated Feb 4, 2023Feb 4, 2023

    • li.ntkoldlrkoLipidomics

      Public
      R
      •0•0•1•0•Updated Jan 4, 2023Jan 4, 2023

    • manuscript.peakCharacterization

      Public
      R
      •1•0•1•0•Updated Jun 2, 2022Jun 2, 2022

    • FTMS.peakCharacterization

      Public
      R
      •
      Other
      •0•0•7•0•Updated Apr 22, 2022Apr 22, 2022

    • smirfeTools

      Public
      R
      •
      Other
      •0•0•0•0•Updated Mar 16, 2022Mar 16, 2022

    • ctfile

      Public
      Parser for chemical table file (CTfile) a family of text-based chemical file formats (e.g. Molfile, SDfile) that describe molecules and chemical reactions.
      pythonbioinformaticschemoinformaticsmolfilesdfilectfile
      Python
      •
      BSD 3-Clause Clear License
      •3•7•0•0•Updated Mar 4, 2022Mar 4, 2022

    • SDAMS

      Public
      Fork of: A Two-Part Semi-Parametric Model for Metabolomics and Proteomics Data
      R
      •2•0•0•0•Updated Jan 27, 2022Jan 27, 2022

    • diffexpr

      Public
      Porting DESeq2 and DEXSeq into python via rpy2
      Jupyter Notebook
      •
      MIT License
      •21•0•0•0•Updated Dec 1, 2021Dec 1, 2021

    • nmrstarlib

      Public
      The nmrstarlib package is a Python library that facilitates reading and writing NMR-STAR formatted files.
      pythonbioinformaticsnmrnmr-starbmrb
      Python
      •
      MIT License
      •1•5•1•0•Updated Jun 21, 2021Jun 21, 2021

    • moiety_modeling

      Public
      Moiety Modeling implemented in Python
      Python
      •
      Other
      •0•0•0•0•Updated Sep 30, 2019Sep 30, 2019

    • isoenum

      Public
      Isotopic (iso) enumerator (enum) - enumerates isotopically resolved InChI (International Chemical Identifier) for metabolites.
      bioinformaticsenumeratormetabolomicschemoinformaticsisotopicisoenum
      Python
      •
      BSD 3-Clause Clear License
      •0•4•0•0•Updated Aug 14, 2019Aug 14, 2019