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TorchDrug: A Powerful and Flexible Machine Learning Platform for Drug
  Discovery

TorchDrug: A Powerful and Flexible Machine Learning Platform for Drug Discovery

16 February 2022
Zhaocheng Zhu
Chence Shi
Zuobai Zhang
Shengchao Liu
Minghao Xu
Xinyu Yuan
Yang Zhang
Junkun Chen
Huiyu Cai
Jiarui Lu
Chang Ma
Runcheng Liu
Louis-Pascal Xhonneux
Meng Qu
Jian Tang
    OOD
    VLM
    MedIm
ArXivPDFHTML

Papers citing "TorchDrug: A Powerful and Flexible Machine Learning Platform for Drug Discovery"

9 / 9 papers shown
Title
PyTDC: A multimodal machine learning training, evaluation, and inference platform for biomedical foundation models
PyTDC: A multimodal machine learning training, evaluation, and inference platform for biomedical foundation models
Alejandro Velez-Arce
Marinka Zitnik
24
0
0
08 May 2025
BioMaze: Benchmarking and Enhancing Large Language Models for Biological Pathway Reasoning
BioMaze: Benchmarking and Enhancing Large Language Models for Biological Pathway Reasoning
Haiteng Zhao
Chang Ma
FangZhi Xu
Lingpeng Kong
Zhi-Hong Deng
LRM
44
2
0
23 Feb 2025
Evaluating representation learning on the protein structure universe
Evaluating representation learning on the protein structure universe
Arian R. Jamasb
Alex Morehead
Chaitanya K. Joshi
Zuobai Zhang
Kieran Didi
...
Charles Harris
Jian Tang
Jianlin Cheng
Pietro Lio
Tom L. Blundell
SSL
36
12
0
19 Jun 2024
Language models in molecular discovery
Language models in molecular discovery
Chaoqi Wang
Yibo Jiang
Chenghao Yang
Han Liu
Yuxin Chen
18
7
0
28 Sep 2023
Graph Representation Learning for Interactive Biomolecule Systems
Graph Representation Learning for Interactive Biomolecule Systems
Xinye Xiong
Bingxin Zhou
Yu Guang Wang
AI4CE
GNN
24
0
0
05 Apr 2023
ProtST: Multi-Modality Learning of Protein Sequences and Biomedical
  Texts
ProtST: Multi-Modality Learning of Protein Sequences and Biomedical Texts
Minghao Xu
Xinyu Yuan
Santiago Miret
Jian Tang
AI4TS
25
93
0
28 Jan 2023
Distributed representations of graphs for drug pair scoring
Distributed representations of graphs for drug pair scoring
P. Scherer
Pietro Lio'
M. Jamnik
24
2
0
19 Sep 2022
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
189
743
0
03 Sep 2019
Graph Convolutional Policy Network for Goal-Directed Molecular Graph
  Generation
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation
Jiaxuan You
Bowen Liu
Rex Ying
Vijay S. Pande
J. Leskovec
GNN
189
885
0
07 Jun 2018
1