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    37 repositories

    • commons-dws-public

      Public
      COMMONS Lab Public Dendron Workspace
      JavaScript
      •
      Creative Commons Zero v1.0 Universal
      •1•0•0•0•Updated Nov 28, 2024Nov 28, 2024

    • MINE-Database

      Public
      Metabolic In silico Network Expansion (MINE) Database Construction and DB Logic
      Python
      •
      MIT License
      •13•0•1•0•Updated Nov 28, 2024Nov 28, 2024

    • rdkit-rust-sys

      Public
      Small example repo to test an other approach with cxx.rs
      Rust
      •0•0•0•0•Updated Nov 26, 2024Nov 26, 2024

    • lotus-dataset

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Oct 23, 2024Oct 23, 2024

    • ott-taxonomy

      Public
      A simple Python package to download different versions of OTT Taxonomy
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Oct 23, 2024Oct 23, 2024

    • ncbi-taxonomy

      Public
      A simple Python package to download different versions of NCBI Taxonomy
      Python
      •0•0•0•0•Updated Oct 16, 2024Oct 16, 2024

    • epicoccum-nigrum-metabolomics

      Public
      A repo for the Epicoccum nigrum metabolomics and NP isolation paper (Azzollini)
      0•0•0•0•Updated Oct 5, 2024Oct 5, 2024

    • expanded-naturalproduct-chemspace

      Public
      Explanation of the extraction from the lotus dataset - masterthesis by P. Amrein
      Jupyter Notebook
      •
      Other
      •0•0•0•0•Updated Sep 3, 2024Sep 3, 2024

    • dataset-extractor-lotus

      Public
      extract and prepare (for MINEs) data from LOTUS
      HTML
      •
      Other
      •0•0•0•0•Updated Aug 8, 2024Aug 8, 2024

    • read-MINE-results

      Public
      To process a to big dataset, it is needed to work with specific tools.
      Jupyter Notebook
      •
      Other
      •0•0•0•0•Updated Jul 29, 2024Jul 29, 2024

    • mzdata

      Public
      Rust
      •
      Apache License 2.0
      •5•0•0•0•Updated Jun 28, 2024Jun 28, 2024

    • report-template

      Public template
      A generic report template
      TeX
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Jun 10, 2024Jun 10, 2024

    • reaction-viewer-gadget

      Public
      A .js gadget to display reaction SMIRKS and SMARTS on Wikidata
      JavaScript
      •0•0•0•0•Updated Jun 3, 2024Jun 3, 2024

    • commons-server-git-fetcher

      Public
      A script to periodically fetch git repos of interest
      Shell
      •0•0•0•0•Updated Jun 2, 2024Jun 2, 2024

    • mgf-filterer

      Public
      Python
      •
      MIT License
      •0•0•0•0•Updated Apr 12, 2024Apr 12, 2024

    • ms-annotator

      Public
      A Python package to proceed to the annotation of mass spectra with chemical structures
      Python
      •
      Other
      •0•1•0•0•Updated Mar 1, 2024Mar 1, 2024

    • matchms

      Public
      Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.
      Python
      •
      Apache License 2.0
      •63•0•0•0•Updated Feb 26, 2024Feb 26, 2024

    • chemical-helper

      Public
      Python
      •
      Other
      •0•0•0•0•Updated Feb 16, 2024Feb 16, 2024

    • zen

      Public
      zen is a Python library that provides a simple and intuitive way to interact with Zenodo. With zen, you can automate and streamline various tasks related to creating, managing, and exploring Zenodo depositions, all within your Python environment.
      Python
      •
      MIT License
      •2•0•0•0•Updated Nov 17, 2023Nov 17, 2023

    • common_dws_public_storage

      Public
      Serve files not hosted on the Dendron
      GNU General Public License v3.0
      •1•0•0•0•Updated Oct 17, 2023Oct 17, 2023

    • vimms

      Public
      A framework to develop, test and optimise fragmentation strategies in LC-MS metabolomics
      Python
      •
      MIT License
      •6•0•0•0•Updated Oct 11, 2023Oct 11, 2023

    • microcosmics

      Public
      A dump repo for the microcosmics project
      MIT License
      •0•0•11•0•Updated Sep 20, 2023Sep 20, 2023

    • anticipated-lotus

      Public
      Jupyter Notebook
      •0•0•0•0•Updated Aug 16, 2023Aug 16, 2023

    • vscode-sparql-notebook

      Public
      Visual Studio Code SPARQL Notebook Extension
      TypeScript
      •
      Other
      •8•0•0•0•Updated Jun 28, 2023Jun 28, 2023

    • coleus-project

      Public
      Coleus project Datatreatment Audrey
      GNU General Public License v3.0
      •0•0•0•0•Updated Jun 14, 2023Jun 14, 2023

    • cookiecutter-snekpack

      Public
      🍪 A cookiecutter package for an enlightened python package
      Python
      •
      MIT License
      •7•0•0•0•Updated May 3, 2023May 3, 2023

    • metabolite_annotator

      Public
      A Python package to proceed to metabolite annotation from mass spectrometry data
      Python
      •
      MIT License
      •0•0•0•0•Updated Apr 22, 2023Apr 22, 2023

    • chemodiv

      Public
      R
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Apr 4, 2023Apr 4, 2023

    • flask_sandbox

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Feb 16, 2023Feb 16, 2023

    • SWAT4HCLS_tutorial

      Public
      Jupyter Notebook
      •0•0•0•0•Updated Feb 13, 2023Feb 13, 2023