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Polymer Informatics: Current Status and Critical Next Steps

Polymer Informatics: Current Status and Critical Next Steps

1 November 2020
Lihua Chen
G. Pilania
Rohit Batra
T. D. Huan
Chiho Kim
Christopher Kuenneth
R. Ramprasad
    AI4CE
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Papers citing "Polymer Informatics: Current Status and Critical Next Steps"

8 / 8 papers shown
Title
polyGen: A Learning Framework for Atomic-level Polymer Structure Generation
polyGen: A Learning Framework for Atomic-level Polymer Structure Generation
Ayush Jain
Rampi Ramprasad
48
0
0
24 Apr 2025
Unifying Invariant and Variant Features for Graph Out-of-Distribution
  via Probability of Necessity and Sufficiency
Unifying Invariant and Variant Features for Graph Out-of-Distribution via Probability of Necessity and Sufficiency
Xuexin Chen
Ruichu Cai
Kaitao Zheng
Zhifan Jiang
Zhengting Huang
Zhifeng Hao
Zijian Li
54
0
0
21 Jul 2024
polyBERT: A chemical language model to enable fully machine-driven
  ultrafast polymer informatics
polyBERT: A chemical language model to enable fully machine-driven ultrafast polymer informatics
Christopher Kuenneth
R. Ramprasad
28
101
0
29 Sep 2022
TransPolymer: a Transformer-based language model for polymer property
  predictions
TransPolymer: a Transformer-based language model for polymer property predictions
Changwen Xu
Yuyang Wang
A. Farimani
24
86
0
03 Sep 2022
Representing Polymers as Periodic Graphs with Learned Descriptors for
  Accurate Polymer Property Predictions
Representing Polymers as Periodic Graphs with Learned Descriptors for Accurate Polymer Property Predictions
Evan R. Antoniuk
Peggy Li
B. Kailkhura
A. Hiszpanski
27
31
0
27 May 2022
A graph representation of molecular ensembles for polymer property
  prediction
A graph representation of molecular ensembles for polymer property prediction
Matteo Aldeghi
Connor W. Coley
AI4CE
25
43
0
17 May 2022
Bioplastic Design using Multitask Deep Neural Networks
Bioplastic Design using Multitask Deep Neural Networks
Christopher Kuenneth
Jessica Lalonde
B. Marrone
C. Iverson
R. Ramprasad
G. Pilania
AI4CE
11
31
0
22 Mar 2022
Graph Convolutional Policy Network for Goal-Directed Molecular Graph
  Generation
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation
Jiaxuan You
Bowen Liu
Rex Ying
Vijay S. Pande
J. Leskovec
GNN
206
885
0
07 Jun 2018
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