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gromacs-mcp

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    TDQS

    B3/5.0

    Scored across 31 tools

    Disambiguation5/5

    Each tool targets a distinct GROMACS operation or file management task. Even the multiple write_mdp tools are clearly differentiated by simulation stage (EM, NVT, NPT, production, generic). The catch-all run_gmx is intentionally generic and does not introduce ambiguity.

    Naming Consistency3/5

    Tool names mix several conventions: single-word native GROMACS commands (check, energy), snake_case descriptors (read_text_file, validate_mdp), and a dedicated mdrun_ prefix for job management. While each group is internally consistent, the overall pattern is not uniform, but still readable.

    Tool Count4/5

    31 tools cover simulation setup, execution, analysis, and file management. This is slightly above average but justified by the breadth of GROMACS. Some generic file operations (list_files, read_text_file) could be omitted, but the count is still reasonable.

    Completeness3/5

    Core GROMACS workflows (setup, preprocessing, running, basic analysis) are well covered, but several common analysis tools (e.g., gmx covar, gmx anaeig, gmx distance) and advanced trajectory postprocessing are missing. The surface is functional for typical MD tasks but not exhaustive.

    Maintenance

    ActivityInactive
    ResponsivenessNo issues

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