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rosettawang

crystallography-mcp

by rosettawang

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    • A
      license
      Not graded
      quality
      A
      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
    • A
      license
      B
      quality
      C
      maintenance
      Enables MCP-capable AI clients to characterize proteins end to end: PDB/mmCIF validation, sequence extraction and typing, pLDDT confidence summaries, metal-site geometry with bidentate chelate detection, GROMACS trajectory metrics and plots, and live UniProt, AlphaFold DB, and RCSB lookups. Also ships a point-and-click Protein Lab web UI (and a persistent run registry) so students and wet-lab biologists can get the same results without any client setup.
      31
      MIT
    • A
      license
      Not graded
      quality
      B
      maintenance
      Enables MCP clients to run materials computation workflows through tools for loading structures, relaxing potentials, screening doped variants, analyzing phonons and elasticity, sampling candidates, and replaying trajectories. It exposes these capabilities over stdio or streamable HTTP, adapting available engines and structure sources to the environment.
      19 npm
      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
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