Mol-MCP
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TDQS
Scored across 9 tools
Each tool has a clearly distinct purpose: geometry tools are separate from SMILES manipulation tools, and within SMILES tools each operation (substructure check, info, common substructure, reaction, remove, replace, retrieve) is unique and well-defined.
All tool names follow a consistent 'prefix_action' pattern in snake_case, with 'geometry_' for geometric operations and 'smiles_' for SMILES operations, making the naming predictable and clear.
The 9 tools cover a focused domain of computational chemistry operations without being excessive or too sparse, each earning its place for typical molecular manipulation tasks.
The tool set covers essential SMILES manipulations (retrieval, substructure search, reaction, editing) and basic geometry handling, but lacks some common features like molecular property calculation or format conversion, leaving minor gaps.