Message passing neural networks for molecular property prediction by Swanson, Kyle(Kyle W.)

Get full text

Uncertainty Quantification Using Neural Networks for Molecular Property Prediction by Hirschfeld, Lior, Swanson, Kyle, Yang, Kevin, Barzilay, Regina, Coley, Connor W

Get full text

Analyzing Learned Molecular Representations for Property Prediction by Yang, Kevin, Swanson, Kyle, Jin, Wengong, Coley, Connor, Eiden, Philipp, Gao, Hua, Guzman-Perez, Angel, Hopper, Timothy, Kelley, Brian, Mathea, Miriam, Palmer, Andrew, Settels, Volker, Jaakkola, Tommi, Jensen, Klavs, Barzilay, Regina

Get full text

A Deep Learning Approach to Antibiotic Discovery by Stokes, Jonathan, Yang, Kevin, Swanson, Kyle, Jin, Wengong, Cubillos, Andres Fernando, Donghia, Nina, MacNair, Craig R., French, Shawn, Carfrae, Lindsey A., Bloom-Ackermann, Zohar, Tran, Victoria M., Chiappino-Pepe, Anush, Badran, Ahmed, Andrews, Ian W., Chory, Emma J, Church, George M., Brown, Eric D., Jaakkola, Tommi S., Barzilay, Regina, Collins, James J.

Get full text