Login / Signup

Unlocking performance portability on LUMI-G supercomputer: A virtual screening case study.

Gianmarco AccordiDavide GadioliGianluca PalermoLuigi CrisciLorenzo CarpentieriBiagio CosenzaAndrea Rosario Beccari
Published in: IWOCL (2024)
Keyphrases
  • virtual screening
  • case study
  • chemical structures
  • drug discovery
  • similarity searching
  • high throughput
  • binding sites
  • scoring function
  • similarity search
  • real world
  • bayesian networks
  • data structure
  • multi dimensional