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@iomega Integrated Omics for MEtabolomics and Genomics Annotation

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    20 repositories

    • ms2query

      Public
      MS2Query - machine learning assisted library querying of MS/MS spectra
      Python
      •
      Apache License 2.0
      •9•39•13•4•Updated Sep 17, 2024Sep 17, 2024

    • spec2vec

      Public
      Word2Vec based similarity measure of mass spectrometry data.
      word2vecfuzzy-searchfuzzy-matchingmass-spectrometry
      Python
      •
      Apache License 2.0
      •16•62•5•6•Updated Aug 14, 2024Aug 14, 2024

    • ms2ldaviewer

      Public
      Browser only based viewer for ms2lda results
      Vue
      •
      Apache License 2.0
      •0•0•0•7•Updated May 7, 2023May 7, 2023

    • zenodo-upload

      Public
      JS package to create a new version of a Zenodo upload with a file
      TypeScript
      •
      Apache License 2.0
      •2•1•4•8•Updated Jan 7, 2023Jan 7, 2023

    • paired-data-form

      Public
      Linking mas spectra and genomic information to discover new chemistry
      TypeScript
      •
      Apache License 2.0
      •4•5•2•0•Updated Jul 7, 2022Jul 7, 2022

    • ms2query-app

      Public
      Web App to match and analyse large MS/MS datasets
      Apache License 2.0
      •0•0•0•0•Updated May 8, 2022May 8, 2022

    • mass-spectral-embeddings-visualization

      Public
      Jupyter Notebook
      •1•3•0•0•Updated Nov 19, 2021Nov 19, 2021

    • spec2vec_gnps_data_analysis

      Public
      Analysis and benchmarking of mass spectra similarity measures using gnps data set.
      Jupyter Notebook
      •
      Apache License 2.0
      •11•23•2•0•Updated Aug 13, 2021Aug 13, 2021

    • improve_library_matching

      Public
      Apply machine-learning to improve mass spectra based library matching
      Jupyter Notebook
      •3•0•0•0•Updated Nov 27, 2020Nov 27, 2020

    • spec2vec_gcms_data_analysis

      Public
      Notebook for the analysis of spectra in GCMS samples
      Jupyter Notebook
      •3•1•0•0•Updated Oct 5, 2020Oct 5, 2020

    • molDiscovery

      Public
      5•0•0•0•Updated Aug 28, 2020Aug 28, 2020

    • Spec2Vec_prototyping

      Public archive
      Vector representation of mass spectral data (e.g. MS-MS) and spectral similarity measure.
      Jupyter Notebook
      •
      Apache License 2.0
      •4•0•3•0•Updated May 14, 2020May 14, 2020

    • motif_annotation

      Public
      Annotate ms2lda motifs using MAGMa
      Python
      •
      Apache License 2.0
      •0•0•1•0•Updated Apr 23, 2020Apr 23, 2020

    • IOMEGA_Multiomics_JSON_Manipulation

      Public
      Jupyter Notebook
      •4•0•0•0•Updated Apr 3, 2020Apr 3, 2020

    • ms2ldaviz

      Public
      Jupyter Notebook
      •
      MIT License
      •8•0•0•0•Updated Dec 4, 2019Dec 4, 2019

    • npdtools

      Public
      Natural Product Discovery tools -- a toolkit containing various pipelines for in silico analysis of natural product mass spectrometry data
      9•0•0•0•Updated Nov 28, 2019Nov 28, 2019

    • NPThesis

      Public
      Python
      •2•0•0•0•Updated Jan 25, 2019Jan 25, 2019

    • ms2lda-notebooks

      Public
      Notebooks that use ms2lda
      Jupyter Notebook
      •
      Apache License 2.0
      •0•2•2•0•Updated Nov 5, 2018Nov 5, 2018

    • bigfam

      Public
      Biosynthetic Gene Cluster Families Database
      Python
      •0•1•0•0•Updated Oct 8, 2018Oct 8, 2018

    • special-substructure-search

      Public
      Code, scripts, and molecular structure databases for substructure search in specialised molecules
      Python
      •
      Apache License 2.0
      •1•1•0•0•Updated Jun 17, 2018Jun 17, 2018