Aitomistic Lab – Your On-Site Platform for Aitomistic Simulations

Aitomistic Lab – Your On-Site Platform for Aitomistic Simulations

Aitomistic Lab is an all-in-one place for your AI and QM simulations on your hardware. The Lab comes with many preinstalled software packages, AI, and QM models for aitomistic simulations and has an intuitive graphical user interface. For example, tired of submitting computational chemistry jobs via ssh? The Lab provides tools where you can submit your job directly from the editor in which you write your input file or script; it will display the simulation status so that you can monitor what is going on. You can find the submitted job overview and status, chat with the LLM (e.g., DeepSeek!), visualize the molecules and analyze their geometries, and build and run custom aitomistic workflows in Jupyter Lab. For advanced users, the Lab has a built-in Linux terminal. For admins, the Lab provides user management tools.

Do you want to try what Aitomistic Lab can do? It is easy: our Lab is what the Aitomistic Hub is built upon. Just go to the Aitomistic Hub and get a taste of what Aitomistic Lab could do on your hardware.

Once you have made up your mind to get Aitomistic Lab, our engineers will help you to install it on your infrastructure.