existing state-of-the-art GNN models for energy and force prediction tasks, combined with MD calculator through LAMMPS
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existing state-of-the-art GNN models for energy and force prediction tasks, combined with MD calculator through LAMMPS
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Voznyy-Clean-Energy-Lab-UToronto/GraNNField
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existing state-of-the-art GNN models for energy and force prediction tasks, combined with MD calculator through LAMMPS
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