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rosettawang

crystallography-mcp

by rosettawang

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    • A
      license
      Not graded
      quality
      B
      maintenance
      Provides crystal structure generation, inspection, and export tools via MCP, supporting vacancy, interstitial, doping, solid-solution, surface, grain-boundary, interface, stacking-fault, and dislocation generators with deterministic outputs and optional Materials Project integration.
      MIT
    • F
      license
      Not graded
      quality
      D
      maintenance
      An MCP server for deconstructing and analyzing Metal-Organic Framework (MOF) structures, including SBU and ligand identification, guest removal, and COF stacking analysis. It enables AI agents to perform automated chemical informatics and structural characterization on crystal structures via CIF files.
      1
      -
    • A
      license
      Not graded
      quality
      C
      maintenance
      Enables querying crystallographic data from the Crystallography Open Database (COD) via natural language or direct tool calls, allowing AI agents to retrieve and analyze crystal structure information.
      17 npm
      MIT