Provides computational chemistry tools for LLMs, enabling molecular operations like SMILES processing and geometry manipulation via a modular agent and tool system.
Enables generation of chemical structures, reactions, spectra, titration curves, 3D models, and more from natural language or SMILES, using RDKit for offline rendering and supporting formats like PNG, SVG, CDXML, and Anki decks.
Enables building, running, and optimizing cheminformatics pipelines via composable blocks, with an MCP agent interface for natural language interaction.
Enables chemical reaction predictions (retrosynthesis, product, reagents), molecule validation, and property calculation through the Model Context Protocol, integrating with AI assistants.
A self-driving cheminformatics MCP server that dynamically exposes a growing library of RDKit-based molecular analysis tools (fingerprints, descriptors, substructure matching, drug-likeness filters, and more) as MCP tools, with each skill autonomously implemented and tested by an agent loop without human intervention.
Provides an MCP interface for publication-quality chemical structure and reaction rendering from SMILES/InChI/molblock, with validation and name parsing. Enables AI agents to draw molecules and reactions as images.