Enables LLM agents to perform stateful genome-scale metabolic modeling with COBRApy through the Model Context Protocol, including loading models, knocking out genes, running flux balance analysis, and inspecting flux distributions.
Enables molecular visualization and analysis from SMILES strings using multiple rendering approaches (RDKit, NetworkX, Plotly, matplotlib), providing detailed molecular properties, validation, and batch processing capabilities for chemical structures.
Enables LLM agents to draw and edit ChemDraw reaction schemes, parse ELN exports and LCMS/NMR data, and generate publication-ready CDXML files through grounded chemistry tools.
Enables AI agents to search the Chemspace API for synthesizable building blocks and screening compounds using exact matches, substructure searches, and similarity searches by SMILES strings.
Provides computational chemistry tools for LLMs, enabling molecular operations like SMILES processing and geometry manipulation via a modular agent and tool system.
