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.
MCP server exposing REINVENT4 generative molecular-design operations as validated, LLM-callable tools for drug discovery, including sampling, transfer learning, reinforcement learning, and molecular analysis.
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.
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.
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.
Enables building, running, and optimizing cheminformatics pipelines via composable blocks, with an MCP agent interface for natural language interaction.
