# raspa-mcp

> Use this tool when you need to automate molecular simulations for porous materials, solving problems such as materials design and validation. It takes in inputs like material structures and simulation parameters, and outputs results like energy profiles and adsorption isotherms. This tool is ideal for AI agents working in materials science and chemistry, enabling autonomous simulation and interpretation.

Canonical page: https://skillsregistry.net/skills/lichman0405-raspa-mcp  
JSON: https://api.skillsregistry.net/v1/skills/lichman0405-raspa-mcp

## Description

Wraps the RASPA2 molecular simulation engine into MCP tools, enabling AI agents to autonomously design, validate, execute, and interpret molecular simulations for porous materials.

## Trust

- **Trust score (0–1):** 0.69
- **Verification tier:** scanned
- **Last scanned:** 2026-08-31

## Facts

- **Version:** 1.0.0
- **Skill type:** atomic
- **Execution layer:** mcp-remote
- **Runtime environment:** api
- **Category:** ai-ml
- **Updated:** 2026-08-31

## Source

- **Source listing:** [Glama](https://glama.ai/mcp/servers/ai5z05xp3d)
- **Repository:** <https://github.com/lichman0405/raspa-mcp>

## Use it

Resolve this record through the SkillsRegistry MCP server (no auth, read-only):

```
claude mcp add --transport http --scope user skillsregistry https://api.skillsregistry.net/mcp
```

```json
{
  "jsonrpc": "2.0",
  "id": 1,
  "method": "tools/call",
  "params": {
    "name": "get_skill",
    "arguments": {
      "slug": "lichman0405-raspa-mcp"
    }
  }
}
```

REST: `GET https://api.skillsregistry.net/v1/skills/lichman0405-raspa-mcp` · pull for local use: `GET https://api.skillsregistry.net/v1/skills/lichman0405-raspa-mcp/pull`

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SkillsRegistry indexes agent skills from public registries and GitHub. Skills we have analysed are scanned with Circle-IR and scored on six dimensions; each listing states its scan coverage. More: https://skillsregistry.net/llms.txt