Research · MarkTechPost ·
FAIRChem v2 UMA for Multidomain Atomistic Simulation across Molecules, Catalysts, Materials, Vibrations, and Molecular Dynamics
A tutorial demonstrates FAIRChem v2 and its UMA universal machine-learning interatomic potential for simulations spanning molecules, catalysts, and inorganic materials. It covers setup, gated Hugging Face model access, and task-specific calculators for the omol, oc20, and omat domains.