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MotifPiece: A Data-Driven Approach for Effective Motif Extraction and
  Molecular Representation Learning

MotifPiece: A Data-Driven Approach for Effective Motif Extraction and Molecular Representation Learning

24 December 2023
Zhaoning Yu
Hongyang Gao
ArXivPDFHTML

Papers citing "MotifPiece: A Data-Driven Approach for Effective Motif Extraction and Molecular Representation Learning"

4 / 4 papers shown
Title
MAGE: Model-Level Graph Neural Networks Explanations via Motif-based Graph Generation
MAGE: Model-Level Graph Neural Networks Explanations via Motif-based Graph Generation
Zhaoning Yu
Hongyang Gao
37
3
0
21 May 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
26
99
0
29 Sep 2022
Junction Tree Variational Autoencoder for Molecular Graph Generation
Junction Tree Variational Autoencoder for Molecular Graph Generation
Wengong Jin
Regina Barzilay
Tommi Jaakkola
219
1,329
0
12 Feb 2018
MoleculeNet: A Benchmark for Molecular Machine Learning
MoleculeNet: A Benchmark for Molecular Machine Learning
Zhenqin Wu
Bharath Ramsundar
Evan N. Feinberg
Joseph Gomes
C. Geniesse
Aneesh S. Pappu
K. Leswing
Vijay S. Pande
OOD
159
1,748
0
02 Mar 2017
1