DGL-LifeSci: An Open-Source Toolkit for Deep Learning on Graphs in Life
Science

DGL-LifeSci: An Open-Source Toolkit for Deep Learning on Graphs in Life Science

27 June 2021

George Karypis

Papers citing "DGL-LifeSci: An Open-Source Toolkit for Deep Learning on Graphs in Life Science"

11 / 11 papers shown

Title
DrugAgent: Automating AI-aided Drug Discovery Programming through LLM Multi-Agent Collaboration Sizhe Liu Yaojie Lu Siyu Chen Xiyang Hu Jieyu Zhao Tianfan Fu Yue Zhao LLMAG 81 6 0 24 Nov 2024
DeepProtein: Deep Learning Library and Benchmark for Protein Sequence Learning Jiaqing Xie Yue Zhao 38 0 0 02 Oct 2024
CTAGE: Curvature-Based Topology-Aware Graph Embedding for Learning Molecular Representations Yili Chen Zhengyu Li Zheng Wan Hui Yu Xian Wei 23 0 0 25 Jul 2023
Retrosynthesis Prediction with Local Template Retrieval Shufang Xie Rui Yan Junliang Guo Yingce Xia Lijun Wu Tao Qin 24 12 0 07 Jun 2023
BeGin: Extensive Benchmark Scenarios and An Easy-to-use Framework for Graph Continual Learning Jihoon Ko Shinhwan Kang Taehyung Kwon Heechan Moon Kijung Shin CLL 39 7 0 26 Nov 2022
Spectral Adversarial Training for Robust Graph Neural Network Jintang Li Jiaying Peng Liang Chen Zibin Zheng Tingting Liang Qing Ling AAML OOD 28 17 0 20 Nov 2022
Deep learning methods for drug response prediction in cancer: predominant and emerging trends A. Partin Thomas Brettin Yitan Zhu Oleksandr Narykov Austin R. Clyde Jamie Overbeek Department of Materials Science 11 54 0 18 Nov 2022
Injecting Domain Knowledge from Empirical Interatomic Potentials to Neural Networks for Predicting Material Properties Zeren Shui Daniel S. Karls Mingjian Wen Ilia Nikiforov E. Tadmor George Karypis 46 7 0 14 Oct 2022
ChemicalX: A Deep Learning Library for Drug Pair Scoring Benedek Rozemberczki Charles Tapley Hoyt A. Gogleva Piotr Grabowski Klas Karis ... Sebastian Nilsson M. Ughetto Yu-Chiang Frank Wang Tyler Derr Benjamin M. Gyori 15 25 0 10 Feb 2022
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 224 1,340 0 12 Feb 2018
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 202 1,778 0 02 Mar 2017