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A 3D-Shape Similarity-based Contrastive Approach to Molecular
  Representation Learning

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
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
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
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