ProtoMD: A prototyping toolkit for multiscale molecular dynamics.

Endre T. Somogyi Andrew Abi Mansour Peter J. Ortoleva

Published in: Comput. Phys. Commun. (2016)

Keyphrases

molecular dynamics
multiscale
scientific data
high performance computing
molecular dynamics simulations
protein folding
image segmentation
fluid flow
development process
database
databases
image sequences
active learning
scheduling problem
data generation