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Simulate Time-integrated Coarse-grained Molecular Dynamics with Multi-scale Graph Networks.
Xiang Fu
Tian Xie
Nathan J. Rebello
Bradley D. Olsen
Tommi S. Jaakkola
Published in:
Trans. Mach. Learn. Res. (2023)
Keyphrases
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coarse grained
molecular dynamics
fine grained
protein folding
multiscale
high level
molecular dynamics simulations
high performance computing
shared memory
protein sequences
machine learning
access control
fluid flow
artificial intelligence