Tunable and Portable Extreme-Scale Drug Discovery Platform at Exascale: the LIGATE Approach.
Gianluca PalermoGianmarco AccordiDavide GadioliEmanuele VitaliCristina SilvanoBruno GuindaniDanilo ArdagnaAndrea Rosario BeccariDomenico BonanniCarmine TalaricoFilippo LunghiniJan MartinovicPaulo SilvaAda BohmJakub BeránekJan KrenekBranislav JansikLuigi CrisciBiagio CosenzaPeter ThomanPhilip SalzmannThomas FahringerLeila T. AlexanderGerardo TaurielloTorsten SchwedeJanani DurairajAndrew EmersonFederico FicarelliSebastian WingbermuhleEric LindahlDaniele GregoriEmanuele SanaSilvano ColettiPhilipp GschwandtnerPublished in: CoRR (2023)