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    • structure_clustering

      Public
      Python package to cluster molecular structures into groups of similar ones.
      chemistryclusteringgraphsmolecules
      C++
      •
      MIT License
      •1•1•0•0•Updated Dec 17, 2024Dec 17, 2024

    • cluster-vis

      Public
      React Single-Page-Application visualizing the results of MOLGA's structure clustering process.
      JavaScript
      •
      MIT License
      •0•0•0•0•Updated Jun 21, 2024Jun 21, 2024