23 citations · 31 across the 4 of their papers we have counts for
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physics.chem-ph2024★ 2 cited
Guided Multi-objective Generative AI to Enhance Structure-based Drug Design
Amit Kadan, Kevin Ryczko, Erika Lloyd +2
Generative AI has the potential to revolutionize drug discovery. Yet, despite recent advances in deep learning, existing models cannot generate molecules that satisfy all desired p…
physics.chem-ph2023★ 1 cited
Massively parallel quantum chemistry: PFAS on over 1 million cloud vCPUs
Alan E. Rask, Lee Huntington, SungYeon Kim +16
Accurate solutions to the electronic Schrödinger equation can provide valuable insight for electron interactions within molecular systems, accelerating the molecular design and dis…