chgnet

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GUI for running simulations with universal machine learning interatomic potentials (MACE, CHGNet, SevenNet, Nequix, ORB, MatterSim, UPET))

Run machine-learning potentials using VASP style inputs.

molecular-dynamics allegro vasp materials-science orb mace ase matris matlantis interatomic-potential nequip deepmd-kit chgnet sevennet nequix mattersim mace-torch

Staged workflow for nonlinear phonon screening and QE recheck.

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