Mozichem MCP

🚀 MoziChem-MCP

A collection of Model Context Protocol (MCP) servers for chemical engineering and chemistry applications, enabling AI assistants to perform complex chemical tasks.

This repository provides specialized MCP tools built on the powerful MoziChem framework. These tools allow AI assistants to carry out complex chemical calculations, thermodynamic modeling, and process engineering tasks.

🚀 Quick Start

MoziChem-MCP bridges the gap between AI language models and chemical engineering calculations. It offers structured access to thermodynamic models, equation of state calculations, phase equilibrium computations, and other essential chemical engineering tools through the Model Context Protocol.

⚠️ Important Note

This repository is actively maintained, and new MCP servers and features will be added in the future. Keep an eye out for updates to support more chemical engineering domains.

✨ Features

Current MCP Servers

• 🌡️ EOS Models MCP (eos-models-mcp)

  • Perform Equation of State calculations using various models (Peng-Robinson, Soave-Redlich-Kwong, Redlich-Kwong, van der Waals).
  • Calculate fugacity for pure components and mixtures.
  • Predict thermodynamic properties.
  • Analyze phase behavior.

• ⚖️ Flash Calculations MCP (flash-calculations-mcp)

  • Conduct vapor-liquid equilibrium calculations.
  • Handle multi-component phase equilibrium.
  • Perform temperature and pressure flash calculations.
  • Calculate bubble point and dew point.

📦 Installation

Prerequisites

• Python 3.13 or higher
• uv package manager (recommended)

Install from Source

# Clone the repository
git clone https://github.com/sinagilassi/mozichem-mcp.git
cd mozichem-mcp

# Install using uv (recommended)
uv sync

# Or install using pip
pip install -e .

Install from PyPI (when available)

pip install mozichem-mcp

💻 Usage Examples

Basic Usage

Running MCP Servers

Each MCP server can be run independently:

EOS Models MCP Server

# Using uvx with the published package
uvx --from mozichem-mcp mozichem-mcp-eos-models

# Or run directly with Python (if installed locally)
python -m mozichem_mcp.mcp.eos_models

Flash Calculations MCP Server

# Using uvx with the published package
uvx --from mozichem-mcp mozichem-mcp-flash-calculation

# Or run directly with Python (if installed locally)
python -m mozichem_mcp.mcp.flash_calculation

Advanced Usage

Integration with AI Assistants

These MCP servers are designed to work with AI assistants that support the Model Context Protocol, such as:

• Claude Desktop
• Other MCP-compatible AI tools

Example Configuration for Claude Desktop

Add to your Claude Desktop configuration:

{
  "mcpServers": {
    "mozichem-eos": {
      "command": "uvx",
      "args": ["--from", "mozichem-mcp", "mozichem-mcp-eos-models"]
    },
    "mozichem-flash": {
      "command": "uvx",
      "args": ["--from", "mozichem-mcp", "mozichem-mcp-flash-calculation"]
    }
  }
}

Example Calculations

Once integrated with an AI assistant, you can perform calculations like:

"Calculate the fugacity of methane at 300K and 10 bar using the Peng-Robinson equation of state"

"Perform a flash calculation for a mixture of 40% methane and 60% ethane at 250K and 20 bar"

📚 Documentation

Chemical Engineering Applications

• Process Design: Use for preliminary process calculations and design.
• Research: Integrate with computational workflows for chemical engineering research.
• Education: Enhance learning with interactive thermodynamic calculations.
• Industry: Support engineering decisions with reliable thermodynamic data.

🤝 Contributing

Contributions are welcome! Please feel free to submit a Pull Request to improve the project.

📄 License

This project is licensed under the MIT License. You are free to use, modify, and distribute this software in your own applications or projects. However, if you choose to use this app in another app or software, please ensure that my name, Sina Gilassi, remains credited as the original author. This includes retaining any references to the original repository or documentation where applicable. By doing so, you help acknowledge the effort and time invested in creating this project.

❓ FAQ

For any questions, contact me on LinkedIn.

👨‍💻 Authors

• @sinagilassi

⭐ Star this repository if you find it useful for your chemical engineering projects!

🐛 Report issues or 💡 suggest new features in the Issues section.