# Mol-MCP

> Use this tool when you need to perform molecular operations, such as SMILES processing and geometry manipulation, to enable computational chemistry capabilities in large language models (LLMs). It solves problems in chemical data processing and molecular analysis, providing a modular system for agents and tools to interact with molecular structures. The Mol-MCP tool accepts molecular inputs, such as SMILES strings, and outputs processed molecular data, facilitating informed decision-making in chemical research and development contexts.

Canonical page: https://skillsregistry.net/skills/lukasmki-mol-mcp  
JSON: https://api.skillsregistry.net/v1/skills/lukasmki-mol-mcp

## Description

Provides computational chemistry tools for LLMs, enabling molecular operations like SMILES processing and geometry manipulation via a modular agent and tool system.

## 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/c07lkm6g6c)
- **Repository:** <https://github.com/lukasmki/mol-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": "lukasmki-mol-mcp"
    }
  }
}
```

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