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schrodinger-mcp

by Nimieeee
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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

    A3.7/5.0

    Scored across 28 tools

    Disambiguation4/5

    Tools have largely distinct purposes, but some overlap exists between confgen and ligprep (both generate structures) and between render_2d_structure and generate_2d_report (both produce images). However, descriptions clearly differentiate them.

    Naming Consistency4/5

    Most tools follow a consistent verb_noun pattern (e.g., convert_structure, summarize_docking). A few deviate with product names (epik, jaguar_qm) or abbreviations (ligprep), but the overall pattern is maintained.

    Tool Count5/5

    28 tools cover the full computational chemistry workflow from structure retrieval to analysis, without being excessive. Each tool serves a specific and necessary function for molecular modeling tasks.

    Completeness5/5

    The tool set covers the complete docking workflow: PDB fetching, protein preparation, site detection, grid generation, ligand preparation, docking, scoring (MM-GBSA, QikProp), interaction analysis, and visualization. No obvious gaps.

    Maintenance

    ActivityInactive
    ResponsivenessNo issues

    Resources