XTB MCP Server

An MCP server that provides tools for generating Extended Tight-Binding (XTB) quantum chemistry input files, enabling AI assistants to automate quantum chemistry calculations and workflows.

→ PhelanShao/xtb-mcp-server · listed on glama

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// key findings

✅

No credential exfiltration, no sensitive file access, no obfuscation

Static analysis found nothing flowing your secrets to unexpected places.

// full audit trail

The full breakdown of what we checked, the deductions that landed, the network hosts, the dependency advisories, and concrete fix guidance is available to verified publishers.

// improvement guidance — verified publishers only

We have 2 concrete improvements we can share with the publisher of this MCP. Each comes with specific guidance to raise the trust score.

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commit: d521428d0dda7c80ebbffec83cb36f45b4043df7

code hash: 37a83bf432aa84d191f5da04523c7dd247de642847df16053f0c92845f2808ef

verified: 6/13/2026, 9:43:10 AM

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