A Systematic Survey of Chemical Pre-trained Models

A Systematic Survey of Chemical Pre-trained Models

29 October 2022

Papers citing "A Systematic Survey of Chemical Pre-trained Models"

10 / 10 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 43 3 0 03 Jan 2025
Large Language Models are In-Context Molecule Learners Jiatong Li Wei Liu Zhihao Ding Wenqi Fan Yuqiang Li Qing Li 38 5 0 07 Mar 2024
Improving Self-supervised Molecular Representation Learning using Persistent Homology Yuankai Luo Lei Shi Veronika Thost SSL 17 8 0 29 Nov 2023
Uncovering Neural Scaling Laws in Molecular Representation Learning Dingshuo Chen Yanqiao Zhu Jieyu Zhang Yuanqi Du Zhixun Li Qiang Liu Shu Wu Liang Wang 21 15 0 15 Sep 2023
Mixed Graph Contrastive Network for Semi-Supervised Node Classification Xihong Yang Yue Liu Sihang Zhou Xinwang Liu En Zhu Sihang Zhou Xinwang Liu En Zhu SSL 35 25 0 06 Jun 2022
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
Pre-training Molecular Graph Representation with 3D Geometry Shengchao Liu Hanchen Wang Weiyang Liu Joan Lasenby Hongyu Guo Jian Tang 112 294 0 07 Oct 2021
Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs Zhao Xu Youzhi Luo Xuan Zhang Xinyi Xu Yaochen Xie Meng Liu Kaleb Dickerson Cheng Deng Maho Nakata Shuiwang Ji 33 39 0 30 Sep 2021
Multilingual Molecular Representation Learning via Contrastive Pre-training Zhihui Guo P. Sharma Andy Martinez Liang Du Robin Abraham 38 29 0 18 Sep 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 154 1,748 0 02 Mar 2017