# MCP Atomic Toolkit

> MCP Atomic Toolkit — qfoldit-atomic-mcp. Use this tool when you need to streamline atomistic modeling workflows, from building structures to analyzing results. The MCP Atomic Toolkit solves problems related to geometry optimization and molecular dynamics simulations, providing downloadable artifacts as output. It is ideal for use cases requiring fast and efficient atomistic modeling, such as materials science and chemical research applications.

Canonical page: https://skillsregistry.net/skills/qfoldit-atomic-mcp  
JSON: https://api.skillsregistry.net/v1/skills/qfoldit-atomic-mcp

## Description

A FastMCP server for atomistic modeling workflows that enables building structures, running geometry optimization and molecular dynamics, and analyzing results with downloadable artifacts.

## Trust

- **Trust score (0–1):** 0.68
- **Verification tier:** scanned
- **Last scanned:** 2026-08-30

## Facts

- **Version:** 1.0.0
- **Skill type:** atomic
- **Execution layer:** mcp-remote
- **Runtime environment:** api
- **Category:** other
- **Updated:** 2026-08-30

## Source

- **Source listing:** [Glama](https://glama.ai/mcp/servers/c38xw5pt8x)
- **Repository:** <https://github.com/qfoldit/Atomic-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": "qfoldit-atomic-mcp"
    }
  }
}
```

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