Dual-view Molecule Pre-training

Dual-view Molecule Pre-training

17 June 2021

Papers citing "Dual-view Molecule Pre-training"

14 / 14 papers shown

Title
ChemDFM-X: Towards Large Multimodal Model for Chemistry Zihan Zhao B. Chen Jingpiao Li Lu Chen Liyang Wen ... Ziping Wan Yansi Li Zhongyang Dai Xin Chen Kai Yu AI4CE 45 3 0 03 Jan 2025
MolFusion: Multimodal Fusion Learning for Molecular Representations via Multi-granularity Views Muzhen Cai Sendong Zhao Haochun Wang Yanrui Du Zewen Qiang Bing Qin Ting Liu 24 0 0 26 Jun 2024
ADMEOOD: Out-of-Distribution Benchmark for Drug Property Prediction Shuoying Wei Xinlong Wen Lida Zhu Songquan Li Rongbo Zhu OOD 22 1 0 11 Oct 2023
Large-scale Pretraining Improves Sample Efficiency of Active Learning based Molecule Virtual Screening Zhonglin Cao Simone Sciabola Ye Wang 30 1 0 20 Sep 2023
Fractional Denoising for 3D Molecular Pre-training Shi Feng Yuyan Ni Yanyan Lan Zhiming Ma Wei-Ying Ma DiffM AI4CE 38 25 0 20 Jul 2023
Molecular Property Prediction by Semantic-invariant Contrastive Learning Ziqiao Zhang Ailin Xie Jihong Guan Shuigeng Zhou 19 5 0 13 Mar 2023
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
A Survey of Pretraining on Graphs: Taxonomy, Methods, and Applications Jun-Xiong Xia Yanqiao Zhu Yuanqi Du Stan Z. Li VLM 30 41 0 16 Feb 2022
Permutation invariant graph-to-sequence model for template-free retrosynthesis and reaction prediction Zhengkai Tu Connor W. Coley 22 90 0 19 Oct 2021
3D Infomax improves GNNs for Molecular Property Prediction Hannes Stärk Dominique Beaini Gabriele Corso Prudencio Tossou Christian Dallago Stephan Günnemann Pietro Lió AI4CE 25 203 0 08 Oct 2021
Pre-training Molecular Graph Representation with 3D Geometry Shengchao Liu Hanchen Wang Weiyang Liu Joan Lasenby Hongyu Guo Jian Tang 112 302 0 07 Oct 2021
Large-Scale Chemical Language Representations Capture Molecular Structure and Properties Jerret Ross Brian M. Belgodere Vijil Chenthamarakshan Inkit Padhi Youssef Mroueh Payel Das AI4CE 19 271 0 17 Jun 2021
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 164 1,775 0 02 Mar 2017
Efficient Estimation of Word Representations in Vector Space Tomáš Mikolov Kai Chen G. Corrado J. Dean 3DV 228 31,244 0 16 Jan 2013