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Materials 3-body Graph Network — a universal potential trained on ~187K Materials Project relaxations. Supports structure relaxation, molecular dynamics, and property prediction. 225K parameters.
Crystal Hamiltonian Graph Neural Network — a universal interatomic potential (UIP) that directly learns from the Materials Project trajectory dataset. Predicts energies, forces, stresses, and magmoms in a single forward pass. 412K parameters, runs on CPU.
