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Score dynamics: scaling molecular dynamics with picosecond timesteps via conditional diffusion model.
Tim Hsu
Babak Sadigh
Vasily V. Bulatov
Fei Zhou
Published in:
CoRR (2023)
Keyphrases
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diffusion model
molecular dynamics
high performance computing
anisotropic diffusion
information diffusion
scientific data
diffusion process
protein folding
molecular dynamics simulations
dynamical systems
social networks
massively parallel
diffusion tensor
image segmentation
fluid flow