Introducing Protomia – Be the First To Try Out the Alpha Version

We are happy to announce the launch of Protomia – a new system developed by Aitomistic that builds on the ideas introduced in Aitomia for AI + atomistic simulations. Designed to improve your experience, Protomia offers enhanced responsiveness, a clearer file and folder structure for input files, detailed logs, and improved stability. The alpha version is already live on the Hub, where you can chat with Protomia and explore its capabilities.

Protomia enables the calculation types listed in the Aitomia’s preprint:

Protomia gives you quick access to these tasks via action buttons for selected XYZ structure files:

You can also choose the working directory for your calculations:

You can ask Protomia to analyze calculations, files, and folder contents:

More complex workflows, such as reaction energy and thermodynamics, are also supported. A neat feature of Protomia is that for reactions, it produces an Excel spreadsheet with the extracted energies and reaction energies so that you can analyze them further, recheck the results, and use it as a starting point for further exploration:

In addition, Protomia gives you easier access to the wealth of knowledge available for MLatom and its many features, such as AIQM methods and excited-state simulations. If you have questions about how to use a method or cite it in your publication, you can ask Protomia instead of browsing through the tutorials. It will provide links to additional materials so that you can verify chat responses and learn more from the sources:

We have also added Chat History, which you can browse to revisit your earlier calculations, see what you have done before, and even restart calculations, picking up the computational workflows where you left them:

You can now also save chats to a Markdown file:

As a token of appreciation for early adopters, you will receive additional tokens and free runtime on Protomia (up to 2 hours) for an extended testing period. Since many users share resources, the free trial resources are allocated by the principle "first come, first served".

Your feedback matters: we will implement the most frequently requested features first, and users who provide meaningful feedback, including bug reports and non-trivial improvement suggestions, will be eligible for additional free resources after the trial period finishes. Please send us your feedback to contact@aitomistic.com or via the Feedback feature on the Hub (click the "?" icon in the bottom-left corner).