PyMemSim-MCP is an MCP-enabled extension of PyMemSim that integrates model-source-driven thermodynamic data with membrane process simulations. It enables LLMs and agents to interact with membrane models through standardized, machine-readable inputs, ensuring unit consistency, reproducibility, and reliable AI-assisted workflows.
PyMemSim-MCP has 3 tools with READ_ONLY risk classification. Tool names follow verb_noun pattern (simulate_*, check_*, analyze_*), which is good. However, descriptions are present but lack depth, they state WHAT but not WHEN or WHY to use each tool, and lack actionable guidance for LLMs. No input parameter descriptions are visible in the source code; tool signatures show only generic 'request' objects without field-level documentation. Output schemas are not documented. Error handling and recovery guidance are absent. The server exposes domain-specific simulation logic but fails to meet production-grade tool definition standards.
Validate pythermodb YAML reference content for use with pyThermoDB.
analyze recommended feed flow rate bounds for a hollow-fiber membrane module from geometry, operating conditions, and permeance inputs.
run a gas hollow-fiber membrane simulation, using pyThermoDB YAML reference content to build the model source.
No input parameter schemas visible. All tools show only generic 'request' object with no field-level type definitions, descriptions, or constraints. Cannot verify parameter validation or LLM guidance.
Tool descriptions lack actionable context. Descriptions state WHAT (e.g., 'run a gas hollow-fiber membrane simulation') but omit WHEN to use, prerequisites, or expected output structure. LLMs cannot reliably select these tools without richer guidance.
No output schema documentation. Tool return types are not specified in code or descriptions. LLMs cannot plan downstream calls or extract required fields (e.g., simulation results structure, validation report format).
| Scored | Grade | Overall | Spec posture | Rubric |
|---|---|---|---|---|
| 2026-09-23 | F | 36 | 2026-07-28+ | v2 |
No error handling or recovery guidance. Tools lack error classification (retryable vs. fatal), actionable error messages, or suggestions for next steps. A failed simulation returns nothing to guide the LLM.
Tool definitions inferred from server.py registration, not from explicit schema objects in tool implementation files. Parameter and output schemas are not visible in pymemsim_mcp/interface/gas_hfm.py or pymemsim_mcp/tools/*.py.