# rdkit-tools-mcp

> rdkit-tools-mcp — mtx-auto-rdkit-tools-mcp. Use this tool when you need to perform cheminformatics operations, such as calculating molecular descriptors or generating 3D conformers, to analyze and process chemical structures. It solves problems related to molecular similarity search, substructure identification, and reaction enumeration, providing outputs like fingerprints and standardized molecules. Ideal for AI agents working with chemical data, it accepts molecular inputs and returns processed chemical structures and associated data.

Canonical page: https://skillsregistry.net/skills/mtx-auto-rdkit-tools-mcp  
JSON: https://api.skillsregistry.net/v1/skills/mtx-auto-rdkit-tools-mcp

## Description

Provides in-process RDKit cheminformatics operations — descriptors, fingerprints, similarity and substructure search, reaction enumeration, standardization, and 3D conformer generation — for AI agents.

## Trust

- **Trust score (0–1):** 0.69
- **Verification tier:** scanned
- **Last scanned:** 2026-09-04

## Facts

- **Version:** 1.0.0
- **Skill type:** atomic
- **Execution layer:** mcp-remote
- **Runtime environment:** api
- **Category:** ai-ml
- **Updated:** 2026-09-04

## Source

- **Source listing:** [Glama](https://glama.ai/mcp/servers/xk2eaxw6qz)
- **Repository:** <https://github.com/mtx-auto/rdkit-tools-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": "mtx-auto-rdkit-tools-mcp"
    }
  }
}
```

REST: `GET https://api.skillsregistry.net/v1/skills/mtx-auto-rdkit-tools-mcp` · pull for local use: `GET https://api.skillsregistry.net/v1/skills/mtx-auto-rdkit-tools-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