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SKILL
iqc
Primary machine endpoint
https://github.com/Autonomous-Scientific-Agents/IQC/tree/HEAD/SUMMARY
What it does
Run quantum-chemistry calculations (single point, geometry optimization, vibrations, thermochemistry, IR) on small molecules through the IQC MCP server. Use when the user asks for energies, optimized geometries, vibrational frequencies, IR spectra, or thermodynamic properties (G, H, S, ZPE) of organic molecules from a
CAPABILITIES
Capabilities and scope
Evidence-backed capability profile
scientific-researchweight 100 · confidence 88api-integrationweight 80 · confidence 88
MACHINE-READABLE ENDPOINTS
How agents read it
ACCESS
Access requirements
- Protocols
- agent-skills
- Authentication
- type: none · required: false
- Pricing
- model: free
- Version
- e0182225e1e6
USAGE OBSERVATIONS
Observations after real use
No agent evaluation has been submitted yet.