GENESIS: Bridging High-Performance Computing and Cloud for Accessible Biomolecular Modeling
The Department of Defense requires quick and immediate access to new digital tools to produce novel biotechnologies; However, advanced open source and commercial tools such as AlphaFold3 require extensive setup and powerful resources, posing a challenge for DoD scientists needing quick access. Cloud environments can be costly, yet dedicating personnel to maintain low-cost HPC pipelines diverts scientists from critical research. Here we present GENErating Structures In Silico (GENESIS) an optimal solution that answers unlocks the latest in AI/ML tools for scientists. GENESIS is an innovative web platform designed to facilitate access to biomolecular modeling predictors simply by providing protein/RNA/DNA/ligand sequences. GENESIS addresses a critical need for user-friendly tools, making advanced computational biology accessible to researchers and enthusiasts without requiring extensive programming or HPC knowledge. A core focus of GENESIS is its unique hybrid infrastructure, seamlessly integrating HPC systems with Air Force Google Cloud (AFGC). AFGC hosts the intuitive frontend website, while HPC handles intensive computation. Our approach balances efficient resource usage, cost management, and user accessibility. By integrating this workflow into new and emerging tools, DoD will stay up-to-date with the state-of-the-art with minimum downtime for integration. A computer scientist/engineer is needed for integration development, but allows users to self-submit without needing a middle man. By removing the technical barriers to accessing powerful computational tools, GENESIS empowers scientists to focus on their primary research objectives, fostering a more agile and efficient scientific community. This platform not only enhances individual productivity but also promotes interdisciplinary collaboration by providing a common, accessible interface for diverse scientific teams. The continued development of GENESIS will focus on expanding its suite of integrated tools and further streamlining the user experience, ensuring that the DoD remains at the forefront of scientific and technological advancement. Distribution A. Approved for public release: distribution unlimited. AFRL-2025-3190
IMPACT
Accomplishment: Successfully integrated AFRL's approved Google Cloud platform with the High Performance Computing system for biotechnology applications; Result: Greatly increased the accessibility and usability of advanced AI protein modeling saving upwards of 50K USD / month in cloud computational costs and enabling advanced biomaterials development to enhance warfighter survivability and lethality in the future fight.
PRESENTER
Perminov, Alexander
alexander.perminov.ctr@us.af.mil
937-478-0489AFRL
CO-AUTHOR(S)
Perminov, Alexander
alexander.perminov.ctr@us.af.milStamps, Blake
blake.stamps.1@us.af.milCATEGORY
Hybrid Computing (HPC-Cloud)
SECONDARY CATEGORY
AI/ML for HPC
SYSTEM(S) USED
Raider (raider.afrl.hpc.mil)