Search Results for author: Igor Yakushin

Found 1 papers, 0 papers with code

Coupling streaming AI and HPC ensembles to achieve 100-1000x faster biomolecular simulations

no code implementations10 Apr 2021 Alexander Brace, Igor Yakushin, Heng Ma, Anda Trifan, Todd Munson, Ian Foster, Arvind Ramanathan, Hyungro Lee, Matteo Turilli, Shantenu Jha

The results establish DeepDriveMD as a high-performance framework for ML-driven HPC simulation scenarios, that supports diverse MD simulation and ML back-ends, and which enables new scientific insights by improving the length and time scales accessible with current computing capacity.

Protein Folding

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