Message-passing neural networks for high-throughput polymer screening

1 code implementation • 26 Jul 2018 • Peter C. St. John, Caleb Phillips, Travis W. Kemper, A. Nolan Wilson, Michael F. Crowley, Mark R. Nimlos, Ross E. Larsen

We show that message-passing neural networks trained with and without 3D structural information for these molecules achieve similar accuracy, comparable to state-of-the-art methods on existing benchmark datasets.

BIG-bench Machine Learning Vocal Bursts Intensity Prediction