Search Results for author: Benjamin Sanchez-Lengeling

Found 6 papers, 5 papers with code

Machine Learning for Scent: Learning Generalizable Perceptual Representations of Small Molecules

no code implementations23 Oct 2019 Benjamin Sanchez-Lengeling, Jennifer N. Wei, Brian K. Lee, Richard C. Gerkin, Alán Aspuru-Guzik, Alexander B. Wiltschko

Based on these early results with graph neural networks for molecular properties, we hope machine learning can eventually do for olfaction what it has already done for vision and hearing.

BIG-bench Machine Learning Nutrition +1

Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models

1 code implementation30 May 2017 Gabriel Lima Guimaraes, Benjamin Sanchez-Lengeling, Carlos Outeiral, Pedro Luis Cunha Farias, Alán Aspuru-Guzik

In unsupervised data generation tasks, besides the generation of a sample based on previous observations, one would often like to give hints to the model in order to bias the generation towards desirable metrics.

 Ranked #1 on Molecular Graph Generation on ZINC (QED Top-3 metric)

Molecular Graph Generation Music Generation +1

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