429 citations · 678 across the 10 of their papers we have counts for
3 papers · 1 filter
Optimizing Molecules using Efficient Queries from Property Evaluations
Samuel Hoffman, Vijil Chenthamarakshan, Kahini Wadhawan +2
Machine learning based methods have shown potential for optimizing existing molecules with more desirable properties, a critical step towards accelerating new chemical discovery. H…
Effects of Naturalistic Variation in Goal-Oriented Dialog
Jatin Ganhotra, Robert Moore, Sachindra Joshi +1
Existing benchmarks used to evaluate the performance of end-to-end neural dialog systems lack a key component: natural variation present in human conversations. Most datasets are c…
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…