Web Apps

Two hosted web apps let you try ALIGNN without writing any code.

JARVIS-ALIGNN property predictor

→ atomgpt.org/alignn

Paste a POSCAR and get predicted formation energy, total energy per atom, bandgap, and several other properties trained on JARVIS-DFT.

ALIGNN-FF structure optimizer

→ atomgpt.org/alignn_ff_dynamics

Upload a structure and have ALIGNN-FF relax it in the browser.

When to use the apps vs. the library

• Apps: ad-hoc single-structure checks, teaching demos, showing colleagues
• Library: batch jobs, fine-tuning, MD, custom properties, anything reproducible