Institution:
Greasy is a light-weight job-launcher that packs thousands of independent docking/FEP/MD replicas into a single embarrassingly-parallel batch job, squeezing every GPU cycle from an HPC queue by enabling faster screening.
Greasy is an HPC workload-orchestration utility that indirectly supports several healthcare-HPC trends by maximising cluster efficiency for embarrassingly-parallel jobs. Containerisation, GPU-aware scheduling and compliance hooks will make it a plug-and-play accelerator for drug-discovery and biobank analytics teams.