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AaltoSciComp

SciComp Docs Agent

Official
by AaltoSciComp

SciComp Docs Assistant

Search and Q&A over Aalto scicomp-docs (Triton HPC and related guides).

Two ways to use this project:

Use case

What you get

Needs LLM API key?

Web chat UI

Browser chat UI with tool-calling loop

Yes (Aalto LLM gateway + VPN)

MCP server

Docs search tool for AI agents (Codex, Cursor, Claude, etc.)

No

Both paths share the same Python search stack in app/doc_tools.py. The web chat drives fine-grained tools via an LLM; MCP exposes a single one-shot search_scicomp_docs tool.

Prerequisites

  • Python 3.12+ or Docker

  • Docs snapshot in docs-source/ (git submodule — required for both paths)

  • ripgrep optional for local dev (brew install ripgrep); included in the Docker image

  • LLM API key only for the web chat UI

Related MCP server: mcp-agno

Clone

git clone --recurse-submodules https://github.com/AaltoSciComp/scicomp-docs-assistant.git
cd scicomp-docs-assistant

If you already cloned without submodules:

git submodule update --init --recursive

After a healthy clone, /api/health should report docs_present: true and index_pages in the hundreds (typically 300+). If index_pages is 0, the docs submodule is missing — see Troubleshooting.


Quick start: Web chat UI

Browser-based agent that searches the local docs snapshot and cites https://scicomp.aalto.fi/.

Requires: Aalto VPN + API key from llm-gateway.k8s.aalto.fi.

cp .env.example .env
# Edit .env and set LLM_API_KEY=your-key-here

docker compose up --build

Open http://localhost:8080.

Local Python

python3 -m venv .venv
source .venv/bin/activate
pip install -r requirements.txt
cp .env.example .env   # set LLM_API_KEY

uvicorn app.main:app --reload --port 8080

Open http://localhost:8080.

Using another LLM provider

The gateway client is OpenAI-compatible. Set in .env:

LLM_API_KEY=your-provider-key
LLM_BASE_URL=https://your-provider.example.com/v1
LLM_MODEL=your-model-id

The web UI and MCP share the same server process; MCP does not use the LLM.


Quick start: MCP only

Expose a single docs search tool to any MCP client (Codex, Cursor, Claude Desktop, custom agents). No LLM key, no VPN.

The tool runs page ranking, keyword search, and excerpt reading internally.

cp .env.mcp.example .env   # optional; compose works without .env for MCP-only
docker compose up --build

MCP endpoint: http://localhost:8080/mcp/ (trailing slash required)

Verify:

curl -s http://localhost:8080/api/health | python3 -m json.tool
# expect: "docs_present": true, "index_pages": 300+ (approx), "llm_configured": false

Option B — HTTP (local Python)

python3 -m venv .venv
source .venv/bin/activate
pip install -r requirements.txt

uvicorn app.main:app --port 8080

MCP endpoint: http://localhost:8080/mcp/

Option C — stdio (local MCP clients)

From the repo root, with dependencies installed:

source .venv/bin/activate   # after pip install -r requirements.txt
python -m app.mcp_stdio

Cursor / VS Code client config (use your venv Python path):

{
  "mcpServers": {
    "scicomp-docs": {
      "command": "/path/to/scicomp-docs-assistant/.venv/bin/python",
      "args": ["-m", "app.mcp_stdio"],
      "cwd": "/path/to/scicomp-docs-assistant",
      "env": {
        "DOCS_ROOT": "/path/to/scicomp-docs-assistant/docs-source"
      }
    }
  }
}

MCP tool

Tool

Description

search_scicomp_docs

One-shot search: ranked pages + keyword hits + excerpts with published URLs

Optional argument path limits the search (e.g. triton/ref, aalto).

Ask the agent in natural language (e.g. “How do I request a GPU on Triton?”); it should call search_scicomp_docs once and answer from the result.

Connect from any MCP client (HTTP)

{
  "mcpServers": {
    "scicomp-docs": {
      "url": "http://localhost:8080/mcp/"
    }
  }
}

Clients that only support stdio (e.g. Claude Desktop) can proxy via mcp-remote:

{
  "mcpServers": {
    "scicomp-docs": {
      "command": "npx",
      "args": ["-y", "mcp-remote", "http://localhost:8080/mcp/"]
    }
  }
}

Connect from Python

Install the MCP client SDK on the machine running your script (pip install "mcp>=1.19,<2"):

import asyncio
from mcp.client.session import ClientSession
from mcp.client.streamable_http import streamablehttp_client

async def main():
    async with streamablehttp_client("http://localhost:8080/mcp/") as (read, write, _):
        async with ClientSession(read, write) as session:
            await session.initialize()
            result = await session.call_tool("search_scicomp_docs", {"query": "GPU sbatch"})
            print(result.content[0].text)

asyncio.run(main())

Security: /mcp/ has no authentication. Bind to localhost or put a reverse proxy in front if exposing beyond your machine.


How it works (web chat)

  1. You ask a question in the browser UI.

  2. The LLM receives a search skill (skills/scicomp-docs-search.md).

  3. The model calls tools: find_pagesget_doc_outline / search_docsread_doc.

  4. It answers with citations as published URLs on https://scicomp.aalto.fi/.

Updating the documentation snapshot

git submodule update --remote docs-source
docker compose up --build   # rebuild image so docs-source is refreshed

Configuration

Variable

Default

Description

LLM_API_KEY

(empty)

Required for web chat only

LLM_BASE_URL

https://llm-gateway.k8s.aalto.fi/api/v1

OpenAI-compatible base URL

LLM_MODEL

RedHatAI/gemma-4-31B-it-FP8-Dynamic

Model id

LLM_TEMPERATURE

0.15

Sampling temperature

LLM_MAX_TOKENS

4096

Max completion tokens

AGENT_MAX_TOOL_ROUNDS

18

Max tool-calling rounds per chat turn

DOCS_ROOT

./docs-source

Path to scicomp-docs tree

DOCS_SITE_BASE_URL

https://scicomp.aalto.fi

Published site for citations

SKILLS_DIR

./skills

Agent skill markdown files (web chat only)

HOST

0.0.0.0

Bind address (local uvicorn)

PORT

8080

Listen port (local uvicorn)

Env templates:

  • .env.example — full template (web chat + MCP)

  • .env.mcp.example — minimal MCP-only (LLM_API_KEY empty)

Troubleshooting

Symptom

Likely cause

Fix

index_pages: 0 or docs_present: false

Submodule not initialized

git submodule update --init --recursive, then rebuild/restart

MCP client can't connect

Wrong port or missing trailing slash

Use http://localhost:8080/mcp/ (trailing slash required)

MCP works but tools return nothing

Empty docs-source/

Same as above; check health endpoint

Chat returns 503 “LLM_API_KEY is not configured”

Key not set

Add LLM_API_KEY to .env (not needed for MCP)

Chat errors / timeouts from LLM

VPN off or wrong gateway

Connect to Aalto VPN; verify key at llm-gateway.k8s.aalto.fi

docker compose fails on .env

Old Compose version

Upgrade Docker Desktop, or cp .env.mcp.example .env

Slow local search

ripgrep not installed

brew install ripgrep or use Docker

stdio MCP: “docs not found” warning

Wrong cwd or DOCS_ROOT

Run from repo root; set DOCS_ROOT in client config

Docker build: can't pull python image

Docker Hub unreachable or rate-limited

Use a mirror, e.g. public.ecr.aws/docker/library/python:3.12-slim-bookworm

Health check:

curl -s http://localhost:8080/api/health | python3 -m json.tool

Healthy MCP + docs: docs_present: true, index_pages > 0. Web chat additionally needs llm_configured: true.

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B
maintenance

Maintenance

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