The Materials Project MCP Server is server that provides programmatic access to the Materials Project database. It enables LLMs, to search, analyze, and retrieve up to date materials science data.
An MCP server for deconstructing and analyzing Metal-Organic Framework (MOF) structures, including SBU and ligand identification, guest removal, and COF stacking analysis. It enables AI agents to perform automated chemical informatics and structural characterization on crystal structures via CIF files.
An MCP server for chemistry: it computes molecular weights and isotope distributions from chemical formulae and resolves compound name/formula lookups, backed by NIST atomic-weight data and a cached finder over multiple online and offline sources.
A Model Context Protocol (MCP) server that provides programmatic access to Catalysis Hub's GraphQL API, enabling querying of catalytic reactions, material systems, publications, and surface reaction data.
A specialized MCP server for Metal-Organic Framework research that provides tools for database searching, structural optimization, and energy calculations via ASE. It enables scientific workflows by allowing users to interact with MOF data and perform chemical simulations through a standard SSE interface.