Search Results for author: Brian Kelley

Found 1 papers, 1 papers with code

Analyzing Learned Molecular Representations for Property Prediction

4 code implementations2 Apr 2019 Kevin Yang, Kyle Swanson, Wengong Jin, Connor Coley, Philipp Eiden, Hua Gao, Angel Guzman-Perez, Timothy Hopper, Brian Kelley, Miriam Mathea, Andrew Palmer, Volker Settels, Tommi Jaakkola, Klavs Jensen, Regina Barzilay

In addition, we introduce a graph convolutional model that consistently matches or outperforms models using fixed molecular descriptors as well as previous graph neural architectures on both public and proprietary datasets.

Molecular Property Prediction molecular representation +1

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