Skip to main content
Glama
lukasmki

Mol-MCP

by lukasmki
OverviewSchemaSourceRelated ServersDiscussionsAdmin
Python
Local

Related Servers

Alternatives to Mol-MCP

No user-submitted related servers found.

    Related Servers

    • ypotheto-compchem-mcp

      ypotheto
      A
      license
      Not graded
      quality
      D
      maintenance
      Enables natural language interaction with computational chemistry tools including molecule building, electronic structure calculations, geometry optimization, vibrational spectroscopy, and molecular dynamics, powered by RDKit, PySCF, and ASE.
      MIT

    • CovAiLent

      Mod26y
      A
      license
      Not graded
      quality
      D
      maintenance
      An MCP server for chemistry-focused tools, enabling LLM agents to perform molecule parsing, format conversion, property lookup, and other chemistry operations with explainable responses.
      Apache 2.0

    • dsh-mol

      Yijian-quiet
      A
      license
      Not graded
      quality
      B
      maintenance
      Provides a local-first chemistry workbench for AI agents, enabling SMILES validation with human-readable diagnostics, molecule drawing, property calculation, format conversion, standardization, and batch cleaning via MCP.
      199 PyPI
      1
      MIT
    • ChemMCP by OSU-NLP-Group

      ChemMCPofficial

      OSU-NLP-Group
      A
      license
      Not graded
      quality
      C
      maintenance
      ChemMCP is an easy-to-use and extensible chemistry toolkit for LLMs and AI assistants, enabling molecular analysis, property prediction, and reaction synthesis tasks without domain-specific training.
      73
      Apache 2.0

    • rdkit-tools-mcp

      mtx-auto
      F
      license
      Not graded
      quality
      C
      maintenance
      Provides in-process RDKit cheminformatics operations — descriptors, fingerprints, similarity and substructure search, reaction enumeration, standardization, and 3D conformer generation — for AI agents.
      -

    • cdxml-toolkit

      ZiChenWang114514
      A
      license
      C
      quality
      B
      maintenance
      Enables LLM agents to draw and edit ChemDraw reaction schemes, parse ELN exports and LCMS/NMR data, and generate publication-ready CDXML files through grounded chemistry tools.
      35
      2
      MIT
    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

    B3.3/5.0

    Scored across 9 tools

    Disambiguation5/5

    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.

    Naming Consistency5/5

    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.

    Tool Count5/5

    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.

    Completeness4/5

    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.

    Maintenance

    ActivityInactive
    ResponsivenessNo issues

    Resources