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    • Python
      0100Updated Jan 19, 2026Jan 19, 2026
    • QM9

      Public
      Python
      0000Updated Dec 8, 2025Dec 8, 2025
    • Roff
      Creative Commons Attribution 4.0 International
      0410Updated Oct 3, 2025Oct 3, 2025
    • Streamlit app for visualization SMARTS patterns of individual compounds and chemical reactions
      Python
      MIT License
      0200Updated Jul 16, 2025Jul 16, 2025
    • Digital biology approach for macroscale studies of biofilm growth and biocide effects with electron microscopy
      Jupyter Notebook
      0000Updated Jan 25, 2025Jan 25, 2025
    • Inverted index-based search engine for ions in complex mass spectra
      Python
      GNU General Public License v3.0
      21100Updated Jan 25, 2025Jan 25, 2025
    • medusa

      Public
      The code for the article "Fully Automated Unconstrained Analysis of High-Resolution Mass Spectrometry Data with Machine Learning"
      Jupyter Notebook
      MIT License
      53010Updated Jan 20, 2025Jan 20, 2025
    • Python
      0000Updated Dec 4, 2024Dec 4, 2024
    • biostrips

      Public
      HTML
      0100Updated Apr 21, 2024Apr 21, 2024
    • tdnc

      Public
      The code for the article "Towards Totally Defined Nanocatalysis: Deep Learning Reveals the Extraordinary Activity of Single Pd/C Particles"
      Python
      GNU General Public License v3.0
      0230Updated Mar 10, 2022Mar 10, 2022
    • LightCube

      Public
      C++
      0000Updated Jan 28, 2022Jan 28, 2022
    • C++
      0000Updated Dec 27, 2021Dec 27, 2021
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