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EMSL Computing

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  1. CoreMS CoreMS Public

    CoreMS is a comprehensive mass spectrometry software framework

    Python 61 37

  2. ftmsRanalysis ftmsRanalysis Public

    R 32 10

  3. PeakDecoder PeakDecoder Public

    A workflow for metabolite identification and accurate profiling in multidimensional LC-IM-MS-DIA measurements. DOI: 10.5281/zenodo.

    R 16 4

  4. PIML4PDE PIML4PDE Public

    A python package for physics-informed machine learning for solving partial differential equations

    13 4

  5. Pore2Chip Pore2Chip Public

    A python package that takes XCT images of porous materials and generates representative digital twin micromodels

    Python 9 3

  6. pspecterlib pspecterlib Public

    Proteomics R package for matching peptide fragments for both digested and intact proteomics

    R 8 1

Repositories

Showing 10 of 23 repositories
  • MetaMS Public
    EMSL-Computing/MetaMS’s past year of commit activity
    Python 3 BSD-2-Clause 1 0 0 Updated Oct 23, 2025
  • CoreMS Public

    CoreMS is a comprehensive mass spectrometry software framework

    EMSL-Computing/CoreMS’s past year of commit activity
    Python 61 BSD-2-Clause 37 0 1 Updated Oct 22, 2025
  • grip-tomo Public

    GRaph Identification of Proteins in TOMOgrams (GRIP-TOMO)

    EMSL-Computing/grip-tomo’s past year of commit activity
    Python 3 BSD-2-Clause 3 0 0 Updated Oct 21, 2025
  • EnviroMS Public

    EnviroMS is a software for natural organic matter data processing and annotation

    EMSL-Computing/EnviroMS’s past year of commit activity
    Python 4 BSD-2-Clause 3 0 0 Updated Oct 6, 2025
  • PSpecteR Public

    The PSpecteR users manual can be accessed via the weblink below

    EMSL-Computing/PSpecteR’s past year of commit activity
    HTML 3 1 0 0 Updated Sep 16, 2025
  • isoforma-lib Public

    R package for the relative quantitation of proteoforms with MS2 fragmentation patterns

    EMSL-Computing/isoforma-lib’s past year of commit activity
    R 3 BSD-2-Clause 0 1 0 Updated Sep 16, 2025
  • Pore2Chip Public

    A python package that takes XCT images of porous materials and generates representative digital twin micromodels

    EMSL-Computing/Pore2Chip’s past year of commit activity
    Python 9 MIT 3 1 0 Updated Aug 29, 2025
  • Chip2Flow Public

    A python package that takes multimodal experimental data to calibrate, simulate, and understand soil carbon cycling

    EMSL-Computing/Chip2Flow’s past year of commit activity
    1 0 0 0 Updated Jun 17, 2025
  • ftmsRanalysis Public
    EMSL-Computing/ftmsRanalysis’s past year of commit activity
    R 32 10 2 2 Updated Jun 10, 2025
  • FREDA Public
    EMSL-Computing/FREDA’s past year of commit activity
    HTML 3 1 3 2 Updated Jun 10, 2025
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