3 papers
cs.DC2025
Adaptive Protein Design Protocols and Middleware
Aymen Alsaadi, Jonathan Ash, Mikhail Titov +4
Computational protein design is experiencing a transformation driven by AI/ML. However, the range of potential protein sequences and structures is astronomically vast, even for mod…
cs.SE2024
Exascale Workflow Applications and Middleware: An ExaWorks Retrospective
Aymen Alsaadi, Mihael Hategan-Marandiuc, Ketan Maheshwari +9
Exascale computers offer transformative capabilities to combine data-driven and learning-based approaches with traditional simulation applications to accelerate scientific discover…
cs.SE2024
ExaWorks Software Development Kit: A Robust and Scalable Collection of Interoperable Workflow Technologies
Matteo Turilli, Mihael Hategan-Marandiuc, Mikhail Titov +13
Scientific discovery increasingly requires executing heterogeneous scientific workflows on high-performance computing (HPC) platforms. Heterogeneous workflows contain different typ…