quantum espresso mcp for LangChain
io.github.mrfentmen/quantum-espresso-mcp
Quantum ESPRESSO MCP: parse pw.x inputs, validate namelists and cards.
client:LangChain
transport:stdio
runtime:npm
Install quantum espresso mcp in LangChain
pip install langchain-mcp-adapters
from langchain_mcp_adapters.client import MultiServerMCPClient
client = MultiServerMCPClient({
"quantum-espresso-mcp": {
"transport": "stdio",
"command": "npx",
"args": ["-y", "@mrfentmen/quantum-espresso-mcp"],
}
})
tools = await client.get_tools()
get_tools() returns the server's tools as LangChain tools, ready for an agent. LangChain docs