Ftir Spectral Search

@ftir_fun

6 days ago

FTIR spectral search and material identification. Upload instrument files (28+ formats) or peak lists, get ranked candidates with literature-backed DOI citations from 135,000+ reference spectra.

概要ツールコメント

概要

FTIR.fun MCP Server

MCP server for FTIR spectral-library search and material identification. Connects AI assistants to 135,000+ FTIR reference spectra with literature-backed peak assignments (DOI-cited).

Tools

`analyze_ftir_spectrum`

Search the FTIR.fun spectral library for one unknown FTIR spectrum.

Parameter	Type	Required	Description
`query`	string	No	Natural-language FTIR request. Peak positions (e.g. "1730, 1600, 1250 cm-1") are extracted automatically.
`peaks`	number[]	No	FTIR peak positions in cm⁻¹ (e.g. `[1736, 1379, 1241]`).
`file_base64`	string	No	Base64-encoded FTIR spectrum file (supports 28+ formats: Thermo .spa/.spc, Bruker .opus, PerkinElmer .sp, JCAMP-DX, CSV, Excel).
`filename`	string	No	Original filename for format detection (e.g. `"sample.spa"`).
`top_k`	integer	No	Number of ranked candidates to return (1–50, default 15).
`tolerance_cm1`	integer	No	Peak matching tolerance in cm⁻¹ (1–30, default 8).

Returns: Ranked candidate materials with library similarity scores, peak-by-peak explanations linked to published literature (DOI), confidence levels, and uncertainty disclosures.

`search`

Search public FTIR.fun result pages by keyword.

Parameter	Type	Required	Description
`query`	string	Yes	Search query string.

Returns: Matching public result pages with id, url, title, text, and metadata.

`fetch`

Fetch one public FTIR.fun result document by ID.

Parameter	Type	Required	Description
`id`	string	Yes	Result ID in `result:<number>` format or bare number.

Returns: Full result document with url, headline, summary, report_view, and metadata.

Hosted MCP (Recommended)

Connect directly to the production endpoint — no local install required:

{
  "mcpServers": {
    "ftirfun": {
      "url": "https://ftir.fun/mcp",
      "headers": {
        "Authorization": "Bearer <YOUR_FTIRFUN_API_KEY>"
      }
    }
  }
}

One-line setup for Claude Code:

claude mcp add ftirfun https://ftir.fun/mcp

The hosted endpoint exposes all three tools (analyze_ftir_spectrum, search, fetch) and is the canonical production service.

Self-Hosted (Local Wrapper)

This repository provides a lightweight local MCP wrapper that proxies to the hosted API. The local wrapper exposes analyze_ftir_spectrum only.

Configuration

export FTIRFUN_API_KEY="your-ftirfun-api-key"

Optional:

export FTIRFUN_API_BASE_URL="https://ftir.fun"
export FTIRFUN_API_TIMEOUT_SECONDS="120"

Run Locally (stdio)

python -m venv .venv
. .venv/bin/activate
pip install .
ftirfun-mcp

Run Streamable HTTP

FTIRFUN_API_KEY="your-ftirfun-api-key" \
ftirfun-mcp --transport streamable-http --host 127.0.0.1 --port 8001

Docker

docker build -t ftirfun-mcp .
docker run --rm -p 8001:8001 -e FTIRFUN_API_KEY="your-ftirfun-api-key" ftirfun-mcp

For registry introspection, the server can start without an API key. Tool calls that require the hosted API return a structured api_key_required error until FTIRFUN_API_KEY is configured.

Tool Boundary

Use this MCP server for FTIR spectral-library screening only.

Do not use for:

Non-FTIR spectroscopy
General chemistry Q&A
Institutional AI-only review of existing third-party reports
Accredited laboratory certification

Registry Links

Hosted MCP: https://ftir.fun/mcp
Server Card: https://ftir.fun/.well-known/mcp/server-card.json
Smithery: https://smithery.ai/servers/hlin2097/ftirfun
MCP.so: https://mcp.so/server/ftir-spectral-search/ftir_fun
PyPI: https://pypi.org/project/ftirfun-mcp/
Website: https://ftir.fun

Playgroundで試す

サーバー設定

{
  "mcpServers": {
    "ftirfun": {
      "url": "https://ftir.fun/mcp",
      "headers": {
        "Authorization": "Bearer <YOUR_FTIRFUN_API_KEY>"
      }
    }
  }
}

Build with ShipAny.