AI Assistant

GEOM now includes an AI-powered assistant that understands natural language, translates it into valid GEOM CLI commands, and executes them automatically.

This assistant is built using [Microsoft’s AutoGen framework](https://github.com/microsoft/autogen), which enables a multi-agent system to interface with OpenAI’s language models and run commands dynamically.

  1. Export your OpenAI API key

The assistant requires access to OpenAI’s LLMs. Make sure you have your API key set:

` export OPENAI_API_KEY=your-api-key-here `

> You can obtain an API key from https://platform.openai.com/account/api-keys

  1. Start the assistant

To launch the chat-based assistant, load the GEOM environment (i.e., with geom_load) and run:

` ai_geom `

You’ll be greeted with a chat prompt where you can type requests like:

` Create a gold nanorod along the z axis that is 40 angstroms long and 10 angstroms wide. `

The assistant will automatically create and execute the corresponding GEOM command for you.