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    • IQC Dashboard provides nice interactive visualization of the final results from IQC
      Python
      0000Updated Dec 5, 2025Dec 5, 2025
    • IQC

      Public
      Interactive Quantum Chemistry
      Jupyter Notebook
      0410Updated Dec 1, 2025Dec 1, 2025
    • Agentic framework for computational chemistry and materials science workflows
      Jupyter Notebook
      23000Updated Sep 12, 2025Sep 12, 2025
    • PubChemAgent provides a natural language interface for the PubChem database
      Python
      0000Updated Jul 11, 2025Jul 11, 2025
    • Python
      0000Updated Feb 10, 2025Feb 10, 2025
    • Paper2Code is an open-source software project that implements a CrewAI system capable of generating code based on computational science academic papers.
      Python
      0600Updated Feb 9, 2025Feb 9, 2025