Representing Polymers as Periodic Graphs with Learned Descriptors for Accurate Polymer Property Predictions

27 May 2022

Papers citing "Representing Polymers as Periodic Graphs with Learned Descriptors for Accurate Polymer Property Predictions"

6 / 6 papers shown

Title
GemNet: Universal Directional Graph Neural Networks for Molecules Johannes Klicpera Florian Becker Stephan Günnemann AI4CE 94 459 0 02 Jun 2021
Polymer Informatics: Current Status and Critical Next Steps Lihua Chen G. Pilania Rohit Batra T. D. Huan Chiho Kim Christopher Kuenneth R. Ramprasad AI4CE 41 181 0 01 Nov 2020
Polymer Informatics with Multi-Task Learning Christopher Künneth Arunkumar Chitteth Rajan Huan Tran Lihua Chen Chiho Kim R. Ramprasad AI4CE 50 94 0 28 Oct 2020
Directional Message Passing for Molecular Graphs Johannes Klicpera Janek Groß Stephan Günnemann 122 875 0 06 Mar 2020
Analyzing Learned Molecular Representations for Property Prediction Kevin Kaichuang Yang Kyle Swanson Wengong Jin Connor W. Coley Philipp Eiden ... Andrew Palmer Volker Settels Tommi Jaakkola K. Jensen Regina Barzilay 104 1,317 0 02 Apr 2019
Message-passing neural networks for high-throughput polymer screening Peter C. St. John Caleb Phillips Travis W. Kemper A. N. Wilson M. Crowley M. Nimlos R. Larsen AI4CE 52 112 0 26 Jul 2018