Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules

Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules

23 October 2023

Zhiyuan Liu

Kenji Kawaguchi

Papers citing "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"

10 / 10 papers shown

Title
NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation Zhiyuan Liu Yanchen Luo Han Huang Enzhi Zhang Sihang Li Junfeng Fang Yaorui Shi X. Wang Kenji Kawaguchi Tat-Seng Chua 100 3 0 18 Feb 2025
MolParser: End-to-end Visual Recognition of Molecule Structures in the Wild Xi Fang Jiankun Wang X. Cai Shangqian Chen Shuwen Yang Lin Yao Linfeng Zhang Guolin Ke Linfeng Zhang Guolin Ke 50 1 0 17 Nov 2024
FragNet: A Graph Neural Network for Molecular Property Prediction with Four Layers of Interpretability G. Panapitiya Peiyuan Gao C Mark Maupin Emily Saldanha AI4CE 33 1 0 16 Oct 2024
Where to Mask: Structure-Guided Masking for Graph Masked Autoencoders Chuang Liu Yuyao Wang Yibing Zhan Xueqi Ma Dapeng Tao Jia Wu Wenbin Hu 51 4 0 24 Apr 2024
Towards 3D Molecule-Text Interpretation in Language Models Sihang Li Zhiyuan Liu Yancheng Luo Xiang Wang Xiangnan He Kenji Kawaguchi Tat-Seng Chua Qi Tian AI4CE 33 42 0 25 Jan 2024
Masked Autoencoders Are Scalable Vision Learners Kaiming He Xinlei Chen Saining Xie Yanghao Li Piotr Dollár Ross B. Girshick ViT TPM 305 7,434 0 11 Nov 2021
Pre-training Molecular Graph Representation with 3D Geometry Shengchao Liu Hanchen Wang Weiyang Liu Joan Lasenby Hongyu Guo Jian Tang 117 302 0 07 Oct 2021
Zero-Shot Text-to-Image Generation Aditya A. Ramesh Mikhail Pavlov Gabriel Goh Scott Gray Chelsea Voss Alec Radford Mark Chen Ilya Sutskever VLM 255 4,777 0 24 Feb 2021
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 224 1,337 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 172 1,775 0 02 Mar 2017