An MCP server that gives LLMs native access to cheminformatics and molecular ML tools, enabling molecular structure manipulation, descriptor calculation, ML model training, and analysis report generation through natural conversation.
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.
MCP-native scientific skills for reproducible computational biology and AI-driven drug-discovery workflows. It combines deterministic scientific tools with an MCP server to give AI agents real computational capabilities.
Provides computational chemistry tools for LLMs, enabling molecular operations like SMILES processing and geometry manipulation via a modular agent and tool system.
ChemMCP is an easy-to-use and extensible chemistry toolkit for LLMs and AI assistants, enabling molecular analysis, property prediction, and reaction synthesis tasks without domain-specific training.
An MCP server for chemistry-focused tools, enabling LLM agents to perform molecule parsing, format conversion, property lookup, and other chemistry operations with explainable responses.
