6 tagged cheminformatics, measured the same way as everything else here.
MCP server Claude CodeCodexCursor +2
MCP server that turns molecule names or SMILES into publication-style 2D structure drawings (PNG/SVG via RDKit) — reaction schemes, mechanisms, spectra. Unofficial, not affiliated with Revvity. Runs locally from the chemdraw-mcp Python package.
MCP server Claude CodeCodexCursor +2
Search PubChem compounds, properties, safety data, bioactivity, and cross-references. Runs locally from the @cyanheads/pubchem-mcp-server npm package. Needs 1 environment variable to run.
MCP server Claude CodeCodexCursor
A Python package for building and optimizing cheminformatics workflows using Bayesian optimization and LLM agents. Runs locally from the cmxflow Python package.
MCP server Claude CodeCodexCursor
Link compounds to protein targets, rank bioactivity, and look up drug mechanisms and indications. Runs locally from the @cyanheads/chembl-mcp-server npm package. Needs 8 environment variables to run.
MCP server Claude CodeCodexCursor
MCP server "chemspace-mcp" as configured in lukasmki/chemspace-mcp. Runs locally from the chemspace-mcp Python package.
chemagents/tox-antitargets-mcp-server
MCP server Claude CodeCodexCursor +2
MCP server "tox-antitargets-mcp-server" as configured in chemagents/tox-antitargets-mcp-server. Runs locally from the tox-antitargets-mcp-server Python package.