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ChemicalX: A Deep Learning Library for Drug Pair Scoring

ChemicalX: A Deep Learning Library for Drug Pair Scoring

10 February 2022
Benedek Rozemberczki
Charles Tapley Hoyt
A. Gogleva
Piotr Grabowski
Klas Karis
Andrej Lamov
A. Nikolov
Sebastian Nilsson
M. Ughetto
Yu-Chiang Frank Wang
Tyler Derr
Benjamin M. Gyori
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Papers citing "ChemicalX: A Deep Learning Library for Drug Pair Scoring"

13 / 13 papers shown
Title
Are Your Models Still Fair? Fairness Attacks on Graph Neural Networks
  via Node Injections
Are Your Models Still Fair? Fairness Attacks on Graph Neural Networks via Node Injections
Zihan Luo
Hong Huang
Yongkang Zhou
Jiping Zhang
Nuo Chen
40
1
0
05 Jun 2024
GPS: Graph Contrastive Learning via Multi-scale Augmented Views from
  Adversarial Pooling
GPS: Graph Contrastive Learning via Multi-scale Augmented Views from Adversarial Pooling
Wei Ju
Yiyang Gu
Zhengyan Mao
Ziyue Qiao
Yifang Qin
Xiao Luo
Hui Xiong
Ming Zhang
SSL
39
8
0
29 Jan 2024
A Topological Perspective on Demystifying GNN-Based Link Prediction
  Performance
A Topological Perspective on Demystifying GNN-Based Link Prediction Performance
Yu-Chiang Frank Wang
Tong Zhao
Yuying Zhao
Yunchao Liu
Xueqi Cheng
Neil Shah
Tyler Derr
32
9
0
06 Oct 2023
SynerGPT: In-Context Learning for Personalized Drug Synergy Prediction
  and Drug Design
SynerGPT: In-Context Learning for Personalized Drug Synergy Prediction and Drug Design
Carl Edwards
Aakanksha Naik
Tushar Khot
Martin D. Burke
Heng Ji
Tom Hope
33
14
0
19 Jun 2023
Shift-Robust Molecular Relational Learning with Causal Substructure
Shift-Robust Molecular Relational Learning with Causal Substructure
Namkyeong Lee
Kanghoon Yoon
Gyoung S. Na
Sein Kim
Chanyoung Park
26
15
0
29 May 2023
Drug Synergistic Combinations Predictions via Large-Scale Pre-Training
  and Graph Structure Learning
Drug Synergistic Combinations Predictions via Large-Scale Pre-Training and Graph Structure Learning
Zhihang Hu
Qinze Yu
Yucheng Guo
Taifeng Wang
Irwin King
Xin Gao
Le Song
Yu Li
GNN
26
9
0
14 Jan 2023
Distributed representations of graphs for drug pair scoring
Distributed representations of graphs for drug pair scoring
P. Scherer
Pietro Lio
M. Jamnik
39
2
0
19 Sep 2022
Collaboration-Aware Graph Convolutional Network for Recommender Systems
Collaboration-Aware Graph Convolutional Network for Recommender Systems
Yu-Chiang Frank Wang
Yuying Zhao
Yi Zhang
Tyler Derr
GNN
32
61
0
03 Jul 2022
Improving Fairness in Graph Neural Networks via Mitigating Sensitive
  Attribute Leakage
Improving Fairness in Graph Neural Networks via Mitigating Sensitive Attribute Leakage
Yu-Chiang Frank Wang
Yuying Zhao
Yushun Dong
Huiyuan Chen
Jundong Li
Tyler Derr
25
80
0
07 Jun 2022
TigerLily: Finding drug interactions in silico with the Graph
TigerLily: Finding drug interactions in silico with the Graph
Benedek Rozemberczki
GNN
26
0
0
18 Apr 2022
Imbalanced Graph Classification via Graph-of-Graph Neural Networks
Imbalanced Graph Classification via Graph-of-Graph Neural Networks
Yu-Chiang Frank Wang
Yuying Zhao
Neil Shah
Tyler Derr
27
47
0
01 Dec 2021
PyKEEN 1.0: A Python Library for Training and Evaluating Knowledge Graph
  Embeddings
PyKEEN 1.0: A Python Library for Training and Evaluating Knowledge Graph Embeddings
Mehdi Ali
M. Berrendorf
Charles Tapley Hoyt
Laurent Vermue
Sahand Sharifzadeh
Volker Tresp
Jens Lehmann
39
142
0
28 Jul 2020
Deep Graph Library: A Graph-Centric, Highly-Performant Package for Graph
  Neural Networks
Deep Graph Library: A Graph-Centric, Highly-Performant Package for Graph Neural Networks
Minjie Wang
Da Zheng
Zihao Ye
Quan Gan
Mufei Li
...
J. Zhao
Haotong Zhang
Alex Smola
Jinyang Li
Zheng-Wei Zhang
AI4CE
GNN
206
747
0
03 Sep 2019
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