laszlopere/mcp-molecules

What it does

laszlopere/mcp-molecules is a Model Context Protocol (MCP) server that provides comprehensive chemistry calculations and tools. It computes molecular weight and molar mass from any chemical formula (including nested groups and isotope labels), calculates isotope distribution mass spectra with m/z peaks for specified charges, and provides percent composition analysis. All calculations are based on authoritative data with propagated NIST uncertainties.

How to set up

This is an MCP server that can be integrated with compatible AI platforms. Installation involves configuring the server in your MCP-compatible client (such as Claude or other supported platforms). Detailed setup instructions are available in the GitHub repository at https://github.com/laszlopere/mcp-molecules.

Key features

• Molecular weight and molar mass calculations for complex formulas
• Support for nested chemical groups and isotope labels
• Isotope distribution and mass spectra prediction (m/z peaks)
• Percent composition analysis
• NIST-traceable uncertainties propagated through calculations
• Multi-platform support (Python-based, cloud, and local deployment options)