Chemdraw Mcp
by jurimaxam-dotcomcommunityv0.2.0
1
An MCP server for Claude Desktop that converts molecule names or SMILES into offline RDKit-rendered 2D chemical structure drawings, with optional ChemDraw CDXML export. It also generates reactions, mechanisms, spectra, 3D conformers, titration/species plots, molecule comparisons, substance lookups, and Anki decks for chemistry study.
From the registry: Molecule names or SMILES to 2D structures, reactions, mechanisms, spectra - offline via RDKit.
Install & configure
Prerequisites
- requiredInstall uvInstall the uv Python package manager/runtime launcher, which provides the uvx command used to run the MCP server from PyPI.https://docs.astral.sh/uv/
- optionalOptional: Install Java runtimeInstall a Java runtime if you want offline parsing of systematic IUPAC names via OPSIN. Without Java, the server falls back to online PubChem/NCI lookup for names.
https://github.com/dan2097/opsin$ brew install openjdk
Install in your client
Paste into the AI you're chatting with — it will figure out the rest
Please install the `chemdraw-mcp` MCP server into my current AI client (that's you).
Required prerequisites (do these first if not already done):
- **Install uv** — Install the uv Python package manager/runtime launcher, which provides the uvx command used to run the MCP server from PyPI. (https://docs.astral.sh/uv/)
Optional prerequisites:
- Optional: Install Java runtime — Install a Java runtime if you want offline parsing of systematic IUPAC names via OPSIN. Without Java, the server falls back to online PubChem/NCI lookup for names. Run: `brew install openjdk` (https://github.com/dan2097/opsin)
Canonical MCP server config (stdio transport):
- command: `uvx`
- args: ["chemdraw-mcp"]
Note: Preferred install path is the PyPI/uvx method. No environment variables are documented. The server runs over stdio. Optional ChemDraw integration is mentioned for macOS, but no additional MCP config details are provided in the README.
Add this MCP server to my current client's config in the correct format for you. If you need secrets or credentials I haven't provided, ASK me — do not invent values or leave raw placeholders. After adding it, tell me how to verify the server is connected.Note: Preferred install path is the PyPI/uvx method. No environment variables are documented. The server runs over stdio. Optional ChemDraw integration is mentioned for macOS, but no additional MCP config details are provided in the README.
Tools (14)
generate_molecule
Convert a molecule name or SMILES into a 2D structure drawing as PNG/SVG, with properties and functional-group checks.
generate_reaction
Render a reaction scheme from educts, products, and conditions.
batch_generate
Generate many molecular structures in one call.
generate_mechanism
Render step-by-step curved-arrow reaction mechanisms.
generate_spectrum
Draw schematic spectra from peak lists with the correct axis conventions.
export_anki_deck
Create a ready-to-import Anki deck with embedded rendered structures and study cards.
export_curated_deck
Create small curated Anki starter decks with formula-verified content.
generate_titration_curve
Compute and plot a titration curve from exact charge balance, including equivalence points and indicator bands.
generate_species_distribution
Plot protonation-species fractions over pH and mark pKa crossovers.
compare_molecules
Display 2-4 structures side by side and highlight differences while neutralizing the shared scaffold.
generate_3d
Generate a rotatable 3D ball-and-stick molecular conformer and export SDF.
lookup_*
Packages
chemdraw-mcp
pypiv0.2.0transport: stdio
Details
- Language
- HTML
- License
- Apache-2.0
- Released
- Jun 11, 2026
- Last commit
- Jun 11, 2026
- Registry name
- io.github.jurimaxam-dotcom/chemdraw-mcp