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raspa-mcp

by lichman0405
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    Deploy Server
    One endpoint for every MCP toolRayrun runs every MCP server behind one URL and holds the credentials. Each call is decided per client, tool, and argument, then recorded.ray.runAd

    TDQS

    A3.9/5.0

    Scored across 28 tools

    Disambiguation5/5

    Every tool targets a distinct concern: simulation type templates, force field generation, molecule definitions, workspace setup, output parsing, and plotting are clearly separated. Even closely related tools like generate_force_field_def and generate_force_field_mixing_rules_def are explicitly differentiated in their descriptions.

    Naming Consistency5/5

    All tool names follow a consistent snake_case verb_noun pattern (list_*, get_*, generate_*, parse_*, plot_*, etc.). There are no camelCase or mixed conventions, making the API predictable and easy to navigate.

    Tool Count2/5

    With 28 tools, the surface is oversized for the domain. While RASPA2 simulations involve many steps, several tools could be consolidated (e.g., plot_isotherm and plot_isotherm_comparison, or the various generate_*_def tools). The count exceeds the 25-tool threshold that indicates a bloated interface.

    Completeness2/5

    The toolset covers setup, input file generation, validation, and output parsing, but critically lacks any tool to actually execute the RASPA2 simulation. The workflow references running 'simulate' externally, which is a major gap for an MCP server dedicated to RASPA2. Additionally, there are no tools for restarting, monitoring, or canceling simulations.

    Maintenance

    ActivityInactive
    ResponsivenessNo issues

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