Rdkit Chemical Informatics

Name: Rdkit Chemical Informatics
Author: s20ss

@s20ss

リポジトリ

Rdkit Chemical Informatics について

概要はまだありません

#rdkit #chemical-reactions

基本情報

カテゴリ

開発者ツール

ランタイム

python

トランスポート

stdio

公開者

s20ss

投稿者

Shashank Shekhar Shukla

設定

以下の設定を使って、このサーバーを MCP 対応クライアントに追加してください。

{
  "mcpServers": {
    "rdkit": {
      "command": "python",
      "args": [
        "-m",
        "mcp_rdkit"
      ]
    }
  }
}

ツール

ツールは検出されませんでした

ツールは README から自動的に抽出されます。メンテナーは ## Tools という見出しの下に記載することで、このタブに反映できます。

概要

What is Rdkit Chemical Informatics?

Rdkit Chemical Informatics integrates the RDKit library with the MCP (Model Context Protocol) framework to provide advanced chemical informatics tools. It is designed for users who need molecular visualization, descriptor calculation, and MCP server interaction.

How to use Rdkit Chemical Informatics?

Install the package via pip install mcp-rdkit, then run python -m mcp_rdkit to start the MCP server in stdio mode. Add the provided JSON configuration to your MCP config file to connect the server.

Key features of Rdkit Chemical Informatics

Generate images of molecules using RDKit.
Compute molecular descriptors (e.g., molecular weight, logP).
Communicate with an MCP server for chemical informatics tasks.
Runs as a stdio-based MCP server.
Includes helper functions for PIL-to-base64 conversion.

Use cases of Rdkit Chemical Informatics

Visualize chemical structures in an MCP-enabled application.
Calculate molecular properties for cheminformatics analysis.
Integrate RDKit capabilities into AI assistants via MCP.

FAQ from Rdkit Chemical Informatics

What does Rdkit Chemical Informatics do?

It wraps RDKit’s molecular visualization and descriptor calculation functions into an MCP server, allowing AI agents to perform chemical informatics tasks.

What are the runtime requirements?

Python 3.8 or higher, the RDKit library, and the MCP framework.

How do I install and run the server?

Install with pip install mcp-rdkit and run with python -m mcp_rdkit.

How do I configure it with an MCP client?

Add the following JSON to your MCP configuration: {"rdkit-server": {"type": "stdio", "command": "python", "args": ["-m", "mcp_rdkit"]}}.

What transport protocol does it use?

The server runs in stdio mode. No authentication is mentioned.

「開発者ツール」の他のコンテンツ

Serena

oraios

A powerful MCP toolkit for coding, providing semantic retrieval and editing capabilities - the IDE for your agent

26.2K

Stakpak Agent CLI

stakpak

Ship your code, on autopilot. An open source agent that lives on your machines 24/7 and keeps your apps running. 🦀

1.6K

Test

x1xhlol

FULL Augment Code, Claude Code, Cluely, CodeBuddy, Comet, Cursor, Devin AI, Junie, Kiro, Leap.new, Lovable, Manus, NotionAI, Orchids.app, Perplexity, Poke, Qoder, Replit, Same.dev, Trae, Traycer AI, VSCode Agent, Warp.dev, Windsurf, Xcode, Z.ai Code, Dia & v0. (And other Open Sou

141.7K