MCP server for Ketcher chemical structure editor integration, enabling SMILES/MOL/InChI conversion, image generation, molecular property calculation, and validation.
MCP server for BIOVIA Materials Studio 2023 on Windows, providing controlled preparation of Forcite and CASTEP inputs, model building, and LAMMPS/VMD pre-processing with reproducible, auditable workflows and strict scientific boundaries.
Provides a collection of MCP servers for computational chemistry tasks including molecular generation and retrosynthesis. Also offers property prediction and molecule pricing capabilities.
MCP server that connects AI assistants to a live Ketcher window, the open-source web-based chemical structure editor. Draw, edit, and organize structures directly in the canvas you have open.
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.