langchain-ftirfun 1.0.0

LangChain tools for FTIR spectral search and material identification via the FTIR.fun API

LangChain FTIR.fun

LangChain tools for FTIR spectral search and material identification via the FTIR.fun API.

Quick Start

pip install langchain-ftirfun

from langchain_ftirfun import get_ftir_tools
from langchain.agents import create_tool_calling_agent
from langchain_openai import ChatOpenAI

# Create FTIR tools
tools = get_ftir_tools(
    api_base_url="https://ftir.fun",
    api_key="your-api-key",
)

# Use with any LangChain agent
llm = ChatOpenAI(model="gpt-4o-mini")
agent = create_tool_calling_agent(llm, tools, "You are a spectroscopy assistant.")

Tools

Tool	Description
ftir_identify_material	Identify unknown material from FTIR spectrum (peaks or file)
ftir_explain_peaks	Explain FTIR peaks with peak-group evidence
ftir_match_library_topk	Return top-k spectral library matches
ftir_assign_functional_groups	Assign likely functional groups to peaks

API Key

Get an API key from FTIR.fun and pass it to get_ftir_tools().

Links

• Website: https://ftir.fun
• Repository: https://github.com/jxbaoxiaodong/ftirfun
• MCP: https://ftir.fun/mcp