sevennet

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GUI for running simulations with universal MLIPs (MACE, CHGNet, SevenNet, Nequix, ORB, MatterSim, UPET, GRACE)

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

Foundation MLIP benchmark for β-Sn (MACE-MPA-0, ORB v3, SevenNet-Omni vs DFT/PBE)

dft materials-science orb mace tin foundation-model machine-learning-interatomic-potential mlip sevennet beta-sn

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