ChemDraw MCP (unofficial) — Claude Code MCP server
Turns molecule names and SMILES into 2D structures, reaction schemes, and comparisons. Rendering runs locally with RDKit.
claude mcp add chemdraw-mcp -- uvx chemdraw-mcpWhat ChemDraw MCP (unofficial) does
ChemDraw MCP (unofficial) resolves molecule names, IUPAC names, and SMILES, then produces 2D chemical structures. It can place molecules side by side, mark structural differences, render reaction schemes, and show a PubChem data sheet with GHS safety details. PNG and SVG output are supported, with optional CDXML export.
Name resolution uses OPSIN, PubChem, and NCI, while rendering happens locally through RDKit. No API key or ChemDraw licence is required. The Claude Code setup calls uvx, so that command must be available before the server can start this way.
What it helps with
- turn a molecule name or SMILES string into a 2D structure
- compare compounds and highlight their structural differences
- render a reaction scheme with conditions above the arrow
- show PubChem properties and GHS safety details
Example prompts for the agent
- Draw the 2D structure of aspirin and export it as a PNG.
- Compare ibuprofen with naproxen and highlight the differences.
- Render ethanol reacting with acetic acid to form ethyl acetate and water.
How to install ChemDraw MCP (unofficial)
Platform CLI
claude mcp add chemdraw-mcp -- uvx chemdraw-mcpuvx runs the command named after the package; if the README names another one, use uvx --from chemdraw-mcp <command>
Platform CLI
codex mcp add chemdraw-mcp-unofficial -- uvx chemdraw-mcpuvx runs the command named after the package; if the README names another one, use uvx --from chemdraw-mcp <command>
Config file
{
"mcpServers": {
"chemdraw-mcp-unofficial": {
"command": "uvx",
"args": [
"chemdraw-mcp"
]
}
}
}uvx runs the command named after the package; if the README names another one, use uvx --from chemdraw-mcp <command>
Config file
{
"servers": {
"chemdraw-mcp-unofficial": {
"type": "stdio",
"command": "uvx",
"args": [
"chemdraw-mcp"
]
}
}
}uvx runs the command named after the package; if the README names another one, use uvx --from chemdraw-mcp <command>
Platform CLI
gemini mcp add chemdraw-mcp-unofficial uvx chemdraw-mcpuvx runs the command named after the package; if the README names another one, use uvx --from chemdraw-mcp <command>
Step by step, with commands for each platform: How to add an MCP server to Claude Code, Codex, Cursor, VS Code, Gemini CLI and more
Questions about ChemDraw MCP (unofficial)
How do I install ChemDraw MCP (unofficial) in Claude Code?
Run claude mcp add chemdraw-mcp -- uvx chemdraw-mcp. The server will then be available in Claude Code.
What does ChemDraw MCP (unofficial) do?
It converts molecule names and SMILES into 2D structures, renders reaction schemes, and compares compounds. It can also display PubChem data and GHS safety information.
Which image formats can the server generate?
It supports PNG and SVG output in a consistent visual style. Optional CDXML export is also available.
