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2211.02130
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A 3D-Shape Similarity-based Contrastive Approach to Molecular Representation Learning
3 November 2022
Austin O. Atsango
N. Diamant
Ziqing Lu
Tommaso Biancalani
Gabriele Scalia
Kangway V Chuang
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Papers citing
"A 3D-Shape Similarity-based Contrastive Approach to Molecular Representation Learning"
3 / 3 papers shown
Title
Molecular Graph Representation Learning via Structural Similarity Information
Chengyu Yao
Hong Huang
Hang Gao
Fengge Wu
Haiming Chen
Junsuo Zhao
19
0
0
13 Sep 2024
Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast
Yuyang Wang
Rishikesh Magar
Chen Liang
A. Farimani
38
78
0
18 Feb 2022
Pre-training Molecular Graph Representation with 3D Geometry
Shengchao Liu
Hanchen Wang
Weiyang Liu
Joan Lasenby
Hongyu Guo
Jian Tang
112
294
0
07 Oct 2021
1