.. _ai_agents:

Using MLatom with AI agents
===========================

MLatom can be driven by AI agents that understand atomistic simulations -- they can
install MLatom, choose and set up methods, run calculations, and assemble workflows
from a natural-language request. There are several options, depending on whether you
want a ready-to-use online assistant, an agentic system installed locally, or skills
for your own AI coding assistant.

Protomia
--------

`Protomia <https://aitomistic.com/protomia>`__ is the main AI assistant for atomistic
simulations built on MLatom. It runs online, with nothing to install, on the
`Aitomistic Hub <https://aitomistic.xyz>`__ and `Aitomistic Lab\@XMU <https://atom.xmu.edu.cn>`__
(the latter for users with an academic email), and carries out complete simulations
from a natural-language request.

MLatom Skills
-------------

`MLatom Skills <https://github.com/dralgroup/mlatom-skills>`__ is an open, agent-agnostic
collection of *skills* -- short, tested recipes that teach any AI coding assistant (such
as Claude, Cursor, and GitHub Copilot, as well as Protomia) how to perform a specific
MLatom task: installing MLatom, running a method, or reproducing a published workflow.
It is a new and growing collection, and open to contributions -- if you have an MLatom
workflow worth sharing, you are welcome to add it. Point your assistant at the relevant
``SKILL.md`` (start with the install skill if you are setting MLatom up).

The `MLatom repository <https://github.com/dralgroup/mlatom>`__ also includes an
``AGENTS.md`` file that orients an AI agent working in a cloned copy: what MLatom is,
how to install it, and where to find the skills and documentation.

Aitomia
-------

`Aitomia <http://mlatom.com/aitomia/>`__ is an agentic system for AI-driven atomistic
and quantum-chemical simulations that academic users can install and run **locally**.