37 citations · 173 across the 23 of their papers we have counts for
3 papers · 1 filter
Sample-Efficient Generation of Novel Photo-acid Generator Molecules using a Deep Generative Model
Samuel C. Hoffman, Vijil Chenthamarakshan, Dmitry Yu. Zubarev +2
Photo-acid generators (PAGs) are compounds that release acids ( ions) when exposed to light. These compounds are critical components of the photolithography processes that are…
Benchmarking deep generative models for diverse antibody sequence design
Igor Melnyk, Payel Das, Vijil Chenthamarakshan +1
Computational protein design, i.e. inferring novel and diverse protein sequences consistent with a given structure, remains a major unsolved challenge. Recently, deep generative mo…
Large-Scale Chemical Language Representations Capture Molecular Structure and Properties
Jerret Ross, Brian Belgodere, Vijil Chenthamarakshan +3
Models based on machine learning can enable accurate and fast molecular property predictions, which is of interest in drug discovery and material design. Various supervised machine…