Enables protein modeling and design using the Rosetta suite via Docker, including structure refinement, mutation stability analysis, docking, and loop modeling through natural language commands.
Enables AI agents to control RELION 5.x cryo-EM structure determination software through natural language, providing 23 tools for the complete single-particle analysis pipeline.
MCP server that wraps xraylarch for X-ray spectroscopy analysis, enabling loading, processing, analyzing, and plotting XAS/XAFS spectra through natural language.
Enables querying crystallographic data from the Crystallography Open Database (COD) via natural language or direct tool calls, allowing AI agents to retrieve and analyze crystal structure information.
Enables natural language interaction with computational chemistry tools including molecule building, electronic structure calculations, geometry optimization, vibrational spectroscopy, and molecular dynamics, powered by RDKit, PySCF, and ASE.