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xtb-mcp-server
The XTB MCP Server is a Model Context Protocol (MCP) server that provides comprehensive tools for generating Extended Tight-Binding (XTB) quantum chemistry calculation input files. This server integrates seamlessly with AI assistants like Claude, Cursor, and Windsurf to enable intelligent quantum chemistry workflow aut
16stars
5forks
Python
Quality signals
StaleNo testsNo CIThin docsNo licenseNew
InstallMCPRun via uvx (Python)
Universal installANY TOOL
$ npx skillcity@latest PhelanShao/xtb-mcp-serverAuto-detects the skill or MCP server in this repo and installs it for Claude Code, Codex, Cursor, Cline, OpenCode, Gemini CLI, Anti-Gravity, OpenClaw and Hermes.
Requires Node.js 18+ (ships with npx).
Or install manually
uvx xtb-mcp-server
MCP Configuration
Add this to your claude_desktop_config.json
{
"mcpServers": {
"xtb-mcp-server": {
"command": "uvx",
"args": [
"xtb-mcp-server"
]
}
}
}Loading README…
Ask a simulated agent to run this skill. It loads the real SKILL.md and reasons over your task with NVIDIA.
xtb-mcp-server — sandboxAI sandbox
Pick a quick prompt below or type your own — watch the agent execute this skill step by step.
guest@skillcity:~$Try a prompt