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abacus-mcp-server

Enables AI-driven first-principles calculations for quantum chemistry and materials science using ABACUS, with tools for SCF, structure optimization, molecular dynamics, band structure, and intelligent parameter suggestions.

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○ Schema Quality — Protocol — Reliability ○ Docs & Maintenance ○ Security Hygiene — Schema Interpretability
Schema Quality
42% weight
Protocol Compliance
N/A
Local server
Reliability
N/A
Local server
Docs & Maintenance
25% weight
Security Hygiene
33% weight
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