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Wrap RASPA2 into MCP tools for autonomous porous materials simulation workflows.
Copy the install command and let the AI configure it · recommended for beginners
No copy-paste install info for "raspa-mcp" yet — see the docs or source repo.
Using raspa-mcp, design a CO2 adsorption simulation workflow for a MOF material, including required input parameters, boundary conditions, temperature and pressure settings, and a pre-run validation checklist.
A runnable simulation configuration with key parameter explanations and pre-run validation steps.
Use raspa-mcp to execute my RASPA2 simulation job. If there are issues in the input files or parameters, identify the errors first, suggest fixes, and then produce a corrected runnable version.
Returns execution results, error diagnostics, fix recommendations, and a corrected runnable configuration.
Use raspa-mcp to read this porous materials simulation output, extract adsorption performance, key trends, and anomalies, and summarize the findings clearly.
A structured interpretation including key metrics, trend analysis, anomaly notes, and a concise conclusion.
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