1 code implementation • Science 2023 • Brian K. Lee, Emily J. Mayhew, Benjamin Sanchez-Lengeling, Jennifer N. Wei, Wesley W. Qian, Kelsie A. Little, Matthew Andres, Britney B. Nguyen, Theresa Moloy, Jacob Yasonik, Jane K. Parker, Richard C. Gerkin, Joel D. Mainland, Alexander B. Wiltschko
Mapping molecular structure to odor perception is a key challenge in olfaction.
no code implementations • 23 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.
no code implementations • 16 Oct 2018 • Dan Moldovan, James M Decker, Fei Wang, Andrew A Johnson, Brian K. Lee, Zachary Nado, D. Sculley, Tiark Rompf, Alexander B. Wiltschko
In machine learning, imperative style libraries like Autograd and PyTorch are easy to write, but suffer from high interpretive overhead and are not easily deployable in production or mobile settings.