Graph-spectral coarsening (LVN/LVC) with MACE force matching yields coarse-grained models that match structural statistics of their own training trajectories for three small molecules.
Coarse-grained protein models and their applications
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Graph-Coarsening for Machine Learning Coarse-grained Molecular Dynamics
Graph-spectral coarsening (LVN/LVC) with MACE force matching yields coarse-grained models that match structural statistics of their own training trajectories for three small molecules.