RDKit Chemical Informatics Server
Rank #27502smithery/s20ss/mcp_rdkit
# MCP RDKit Project ## Overview The `mcp_rdkit` project integrates the RDKit library with the MCP (Model Context Protocol) framework to provide advanced chemical informatics tools. It includes functionalities for molecular visualization, descriptor calculation, and interaction with an MCP server. ## Features - **Molecular Visualization**: Generate images of molecules using RDKit. - **Descriptor Calculation**: Compute molecular descriptors such as molecular weight, logP, and more. - **MCP Server Integration**: Communicate with an MCP server for advanced chemical informatics tasks. ## Project Structure - `mcp_rdkit/` - `__main__.py`: Entry point for the application. It initializes the MCP server and runs it in "stdio" mode. - `rdkit_helper.py`: Contains helper functions for RDKit operations, including: - Converting PIL images to base64. - Interfacing with the MCP server. - Utilizing RDKit for chemical computations. - `setup.py`: Configuration for packaging and distribution. ## Requirements - Python 3.8 or higher - RDKit library - MCP framework ## Installation 1. Install the package using pip: ```bash pip install mcp-rdkit ``` 2. Run the application: ```bash python -m mcp_rdkit ``` ## Demo You can integrate this directly into Claude App:  .png) .png) ## Usage - **Run the MCP server**: The application starts an MCP server that can process chemical informatics tasks. - **Generate molecular images**: Use the RDKit helper functions to visualize molecules. - **Calculate descriptors**: Leverage RDKit's descriptor calculation tools for chemical analysis. ## MCP Configuration Example To use the RDKit server with MCP, add the following configuration to your `mcp` config file: ```json "rdkit-server": { "type": "stdio", "command": "python", "args": [ "-m", "mcp_rdkit" ] } ```
RDKit Chemical Informatics Server is a Model Context Protocol (MCP) server published by s20ss. It ranks #27502 of 58,900 servers tracked on MCP Toplist, and its repository has 2 GitHub stars. RDKit Chemical Informatics Server is listed on Smithery, and ships as a single rolling release with no explicit version metadata. It was first listed on May 14, 2025.
Ranks ahead of 31,398 of 58,900 servers on MCP Toplist.
Use RDKit Chemical Informatics Server
RDKit Chemical Informatics Server doesn’t publish a machine-readable install config. Follow the setup instructions in its repository ↗, or open one of its registry listings above.
Listed on 1 registry
s20ss
Not versioned
This server is published through a registry that does not expose explicit version metadata, and no GitHub release tags were found on the linked repository. The listing tracks a single rolling release.
Frequently asked questions
- What is RDKit Chemical Informatics Server?
- # MCP RDKit Project ## Overview The `mcp_rdkit` project integrates the RDKit library with the MCP (Model Context Protocol) framework to provide advanced chemical informatics tools. It includes functionalities for molecular visualization, descriptor calculation, and interaction with an MCP server. ## Features - **Molecular Visualization**: Generate images of molecules using RDKit. - **Descriptor Calculation**: Compute molecular descriptors such as molecular weight, logP, and more. - **MCP Server Integration**: Communicate with an MCP server for advanced chemical informatics tasks. ## Project Structure - `mcp_rdkit/` - `__main__.py`: Entry point for the application. It initializes the MCP server and runs it in "stdio" mode. - `rdkit_helper.py`: Contains helper functions for RDKit operations, including: - Converting PIL images to base64. - Interfacing with the MCP server. - Utilizing RDKit for chemical computations. - `setup.py`: Configuration for packaging and distribution. ## Requirements - Python 3.8 or higher - RDKit library - MCP framework ## Installation 1. Install the package using pip: ```bash pip install mcp-rdkit ``` 2. Run the application: ```bash python -m mcp_rdkit ``` ## Demo You can integrate this directly into Claude App:  .png) .png) ## Usage - **Run the MCP server**: The application starts an MCP server that can process chemical informatics tasks. - **Generate molecular images**: Use the RDKit helper functions to visualize molecules. - **Calculate descriptors**: Leverage RDKit's descriptor calculation tools for chemical analysis. ## MCP Configuration Example To use the RDKit server with MCP, add the following configuration to your `mcp` config file: ```json "rdkit-server": { "type": "stdio", "command": "python", "args": [ "-m", "mcp_rdkit" ] } ```
- Who maintains RDKit Chemical Informatics Server?
- RDKit Chemical Informatics Server is maintained by s20ss, which publishes 1 MCP server (0 total versions) tracked on MCP Toplist.
- Is RDKit Chemical Informatics Server an official MCP server?
- RDKit Chemical Informatics Server is not on the Official MCP Registry. It is listed on Smithery.
- How many versions does RDKit Chemical Informatics Server have?
- RDKit Chemical Informatics Server ships as a single rolling release with no explicit version metadata.
- Where can I find the source code for RDKit Chemical Informatics Server?
- The source code for RDKit Chemical Informatics Server is hosted at github.com/s20ss/mcp_rdkit.