ASTEROID is a spatiotemporal Transformer that predicts multi-step MD atomic coordinates with claimed higher accuracy and lower cost than iterative simulation on quantum-derived datasets.
Short molecular dynamics of a peptide inside a pure DMPC membrane [Dataset]
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ASTEROID: A Spatiotemporal Information Transformer for Forecasting Multi-Step Time Series of Molecular Dynamics
ASTEROID is a spatiotemporal Transformer that predicts multi-step MD atomic coordinates with claimed higher accuracy and lower cost than iterative simulation on quantum-derived datasets.