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Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks

Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks

29 September 2023
Yanqiao Zhu
Jeehyun Hwang
Keir Adams
Zhen Liu
B. Nan
Brock A. Stenfors
Yuanqi Du
Jatin Chauhan
Olaf Wiest
Olexandr Isayev
Connor W. Coley
Yizhou Sun
Wei Wang
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Papers citing "Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks"

3 / 3 papers shown
Title
On the Expressive Power of Sparse Geometric MPNNs
On the Expressive Power of Sparse Geometric MPNNs
Yonatan Sverdlov
Nadav Dym
40
1
0
02 Jul 2024
A Systematic Survey of Chemical Pre-trained Models
A Systematic Survey of Chemical Pre-trained Models
Jun-Xiong Xia
Yanqiao Zhu
Yuanqi Du
Stan Z.Li
AI4CE
54
51
0
29 Oct 2022
Representation Learning on Graphs with Jumping Knowledge Networks
Representation Learning on Graphs with Jumping Knowledge Networks
Keyulu Xu
Chengtao Li
Yonglong Tian
Tomohiro Sonobe
Ken-ichi Kawarabayashi
Stefanie Jegelka
GNN
267
1,944
0
09 Jun 2018
1