# QCViz-MCP

> Use this tool when you need to analyze molecular structures and perform electronic structure calculations using natural language inputs. QCViz-MCP solves problems in quantum chemistry by enabling large language models (LLMs) to parse calculation outputs and generate 3D orbital visualizations, facilitating molecular structure manipulation and bonding analysis. It takes in molecular structures and calculation parameters as inputs and outputs 3D visualizations and analysis results, making it ideal for use cases where chemical intuition and visualization are crucial.

Canonical page: https://skillsregistry.net/skills/dydtkddl-qcviz-mcp  
JSON: https://api.skillsregistry.net/v1/skills/dydtkddl-qcviz-mcp

## Description

An MCP server for quantum chemistry that enables LLMs to perform electronic structure analysis, parse calculation outputs, and generate 3D orbital visualizations. It integrates tools like PySCF, cclib, and py3Dmol to facilitate molecular structure manipulation and bonding analysis through natural language.

## Trust

- **Trust score (0–1):** 0.63
- **Verification tier:** scanned
- **Last scanned:** 2026-09-28

## Facts

- **Version:** 1.0.0
- **Skill type:** atomic
- **Execution layer:** mcp-remote
- **Runtime environment:** api
- **Category:** ai-ml
- **Updated:** 2026-09-28

## Source

- **Source listing:** [Glama](https://glama.ai/mcp/servers/byjzgdwccz)
- **Repository:** <https://github.com/dydtkddl/qcviz-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": "dydtkddl-qcviz-mcp"
    }
  }
}
```

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

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