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 for Ketcher chemical structure editor integration, enabling SMILES/MOL/InChI conversion, image generation, molecular property calculation, and validation.
An MCP server for chemistry: it computes molecular weights and isotope distributions from chemical formulae and resolves compound name/formula lookups, backed by NIST atomic-weight data and a cached finder over multiple online and offline sources.
Exposes EPA Computational Toxicology (CompTox) evidence federation through MCP, enabling chemical identity, hazard, exposure, and bioactivity data retrieval for AI agents.
