---
title: cclib MCP Service
emoji: 🔧
colorFrom: blue
colorTo: indigo
sdk: docker
pinned: false
license: mit
---

# cclib MCP Service

This deployment exposes `cclib` parsing and analysis capabilities through an MCP service.

## Available Tools

- `health_check`
- `list_modules`
- `list_symbols`
- `parse_log_summary`
- `extract_attributes`
- `compute_electron_counts`
- `check_closed_shell`
- `export_parsed_output`

Tool details and examples are documented in `cclib/mcp_output/README_MCP.md`.

## Local stdio Usage

Run from `cclib/mcp_output`:

```bash
MCP_TRANSPORT=stdio python start_mcp.py
```

Or use direct plugin entrypoint:

```bash
python mcp_plugin/main.py
```

## HTTP Usage

```bash
MCP_TRANSPORT=http MCP_PORT=8000 python cclib/mcp_output/start_mcp.py
```

For Docker/HuggingFace Spaces this service runs with:

- `MCP_TRANSPORT=http`
- `MCP_PORT=7860`

Clients connect to:

```text
https://{host}/mcp
```

## Docker Run

```bash
bash run_docker.sh
```

Or on PowerShell:

```powershell
./run_docker.ps1
```