MCP ServerSTDIOOfficialv0.1.4

DECIMER MCP Server

Convert chemical structure images to SMILES notation using DECIMER's deep learning model. For chemists, researchers, and developers building chemistry workflows that need automated structure recognition.

io.github.DocMinus/decimer-mcp-server

Hosted URL

Local install

Transport

STDIO

Auth

No auth required

What the DECIMER MCP server does

How models use it and what it is built for.

Convert chemical structure images to SMILES notation using DECIMER's deep learning model. For chemists, researchers, and developers building chemistry workflows that need automated structure recognition.

Connect to DECIMER

Local install — runs as a subprocess.

uvx decimer-mcp-server==0.1.4

Resources

Where to find authoritative docs and source for DECIMER.

Example prompts for DECIMER

Paste any of these into Agent Studio after connecting DECIMER.

  • Convert this benzene ring image to SMILES notation
  • What SMILES string does this chemical structure diagram represent
  • Extract molecular structure from a JPG of a compound
  • Show me the DECIMER model version and supported image formats

DECIMER MCP server — FAQ

Common questions about connecting and running DECIMER.

  • What image formats does DECIMER-MCP support?

    The server accepts chemical structure images and converts them to SMILES notation. Check the documentation for the complete list of supported image formats (typically JPG, PNG, and similar raster formats).

  • How do I install and run the DECIMER MCP server?

    Install via `uvx decimer-mcp-server@0.1.4`. The server runs over stdio transport, making it compatible with any MCP client that supports standard input/output communication.

  • What is SMILES and why would I need it?

    SMILES (Simplified Molecular Input Line Entry System) is a notation for representing chemical structures as text strings. It's essential for cheminformatics workflows, database storage, and computational chemistry applications.

  • How accurate is DECIMER at recognizing chemical structures?

    DECIMER uses deep learning for structure recognition, but accuracy depends on image quality, complexity, and structure type. Refer to the DECIMER project documentation for benchmarks and known limitations.

  • Can I use this server offline or does it require an API key?

    The server runs locally via stdio, so it does not require external API calls or internet connectivity. Check the installation documentation for any runtime dependencies or model files needed.

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