9 citations · 11 across the 4 of their papers we have counts for
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cs.LG2020
Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molecular Dynamics
Payel Das, Tom Sercu, Kahini Wadhawan +12
De novo therapeutic design is challenged by a vast chemical repertoire and multiple constraints, e.g., high broad-spectrum potency and low toxicity. We propose CLaSS (Controlled La…
cs.LG2020
CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models
Vijil Chenthamarakshan, Payel Das, Samuel C. Hoffman +8
The novel nature of SARS-CoV-2 calls for the development of efficient de novo drug design approaches. In this study, we propose an end-to-end framework, named CogMol (Controlled Ge…