no code implementations • 27 May 2022 • Evan R. Antoniuk, Peggy Li, Bhavya Kailkhura, Anna M. Hiszpanski
Our results illustrate how the incorporation of chemical intuition through directly encoding periodicity into our polymer graph representation leads to a considerable improvement in the accuracy and reliability of polymer property predictions.
no code implementations • 16 Jul 2020 • Shusen Liu, Bhavya Kailkhura, Jize Zhang, Anna M. Hiszpanski, Emily Robertson, Donald Loveland, T. Yong-Jin Han
The scientific community has been increasingly interested in harnessing the power of deep learning to solve various domain challenges.
no code implementations • 30 Jun 2020 • Shusen Liu, Bhavya Kailkhura, Jize Zhang, Anna M. Hiszpanski, Emily Robertson, Donald Loveland, T. Yong-Jin Han
The scientific community has been increasingly interested in harnessing the power of deep learning to solve various domain challenges.