Rowan Mcp: A Server For Running Complex Computational Chemistry Tasks

Created By

k-yenko5 months ago

This project wraps an MCP (Model Context Protocol) around Rowan's tools, making it easy for users to submit complex chemistry and biology calculations in natural everyday language.

# rowan-mcp

# computational-chemistry

Overview Content Tools Comments

Overview

What is Rowan MCP?

Rowan MCP is a server designed to facilitate complex computational chemistry tasks by wrapping an MCP (Model Context Protocol) around Rowan's tools, allowing users to submit calculations in natural language.

How to use Rowan MCP?

To use Rowan MCP, install the desktop extension or package, obtain an API key from labs.rowansci.com, and start submitting queries like "Calculate the pKa of aspirin".

Key features of Rowan MCP?

Natural language processing for chemistry calculations
Support for various computational tasks including drug property predictions and molecular optimizations
Integration with MCP-compatible clients like Claude Desktop

Use cases of Rowan MCP?

Predicting drug-likeness and properties of compounds
Optimizing molecular structures for better stability
Running quantum chemistry calculations for research purposes

FAQ from Rowan MCP?

Can Rowan MCP handle all types of chemistry calculations?

Yes! Rowan MCP supports a wide range of calculations including drug properties, molecular dynamics, and electronic properties.

Is there a cost associated with using Rowan MCP?

No, obtaining an API key and using the server is free for users.

What are the system requirements for Rowan MCP?

Users need Python 3.10+, a package manager like uv or pip, and an MCP-compatible client.

Server Config

{
  "mcpServers": {
    "rowan": {
      "command": "uvx",
      "args": [
        "--from",
        "rowan-mcp",
        "rowan-mcp"
      ],
      "env": {
        "ROWAN_API_KEY": "your_api_key_here"
      }
    }
  }
}

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