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    6 repositories

    • electrum_val

      Public
      Code and datasets for the validation of the ELECTRUM metal complex fingerprint.
      HTML
      •
      MIT License
      •0•6•0•0•Updated Jul 24, 2026Jul 24, 2026

    • electrum

      Public
      Metal-aware molecular fingerprints for transition metal complexes, with coordination stereochemistry (cis/trans, fac/mer, Δ/Λ).
      fingerprintrdkitcoordination-chemistry
      fingerprintrdkitcoordination-chemistrystereochemistrycheminformatics-transition-metals
      Python
      •
      MIT License
      •0•0•0•0•Updated Jul 24, 2026Jul 24, 2026

    • freilab-database

      Public
      JavaScript
      •0•0•0•0•Updated Jun 29, 2026Jun 29, 2026

    • ClickCombChem-ML

      Public
      Code utilised for training ML models on combinatorial metal complexes
      Jupyter Notebook
      •
      MIT License
      •0•1•0•0•Updated Nov 20, 2025Nov 20, 2025

    • FreiLab-LCMSProcessing

      Public
      Jupyter Notebook
      •
      MIT License
      •0•1•0•0•Updated Nov 14, 2025Nov 14, 2025

    • RutheniumML

      Public
      Jupyter Notebook
      •
      MIT License
      •1•0•0•0•Updated Oct 19, 2023Oct 19, 2023
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