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  • QCViz-MCP

    dydtkddl
    A
    license
    Not graded
    quality
    C
    maintenance
    An MCP server for quantum chemistry that enables LLMs to perform electronic structure analysis, parse calculation outputs, and generate 3D orbital visualizations. It integrates tools like PySCF, cclib, and py3Dmol to facilitate molecular structure manipulation and bonding analysis through natural language.
    BSD 3-Clause