Smiles-bert: large scale unsupervised pre-training for molecular property prediction
Sheng Wang, Yuzhi Guo, Yuhong Wang, Hongmao Sun, and Junzhou Huang. 2019 · 2019
Cited alongside, same era.
How powerful are graph neural networks?
Keyulu Xu, Weihua Hu, Jure Leskovec, and Stefanie Jegelka. 2019 · 2019
Cited alongside, same era.
Analyzing learned molecular representations for property prediction
Kevin Yang, Kyle Swanson, Wengong Jin, Connor Coley, Philipp Eiden, Hua Gao, Angel Guzman-Perez, Timothy Hopper, Brian Kelley, Miriam Mathea, et al. 2019 · 2019
Cited alongside, same era.
Onionnet: a multiple-layer intermolecular-contact-based convolutional neural network for protein–ligand binding affinity prediction
Liangzhen Zheng, Jingrong Fan, and Yuguang Mu. 2019 · 2019
Cited alongside, same era.
Ro{bert}a: A robustly optimized {bert} pretraining approach
Yinhan Liu, Myle Ott, Naman Goyal, Jingfei Du, Mandar Joshi, Danqi Chen, Omer Levy, Mike Lewis, Luke Zettlemoyer, and Veselin Stoyanov. 2020 · 2020
Cited alongside, same era.
Structure-based virtual screening: from classical to artificial intelligence
Eduardo Habib Bechelane Maia, Letícia Cristina Assis, Tiago Alves De Oliveira, Alisson Marques Da Silva, and Alex Gutterres Taranto. 2020 · 2020
Cited alongside, same era.
Tudataset: A collection of benchmark datasets for learning with graphs
Christopher Morris, Nils M. Kriege, Franka Bause, Kristian Kersting, Petra Mutzel, and Marion Neumann. 2020 · 2020
Cited alongside, same era.
Self-supervised graph transformer on large-scale molecular data
Yu Rong, Yatao Bian, Tingyang Xu, Weiyang Xie, Ying Wei, Wenbing Huang, and Junzhou Huang. 2020 · 2020
Cited alongside, same era.
Transformers: State-of-the-art natural language processing
Thomas Wolf, Lysandre Debut, Victor Sanh, Julien Chaumond, Clement Delangue, Anthony Moi, Pierric Cistac, Tim Rault, Remi Louf, Morgan Funtowicz, Joe Davison, Sam Shleifer, Patrick von Platen, Clara Ma, Yacine Jernite, Julien Plu, Canwen Xu, Teven Le Scao, Sylvain Gugger, Mariama Drame, Quentin Lhoest, and Alexander Rush. 2020 · 2020
Cited alongside, same era.
Deberta: Decoding-enhanced bert with disentangled attention
Pengcheng He, Xiaodong Liu, Jianfeng Gao, and Weizhu Chen. 2021 · 2021
Cited alongside, same era.
Artificial intelligence–enabled virtual screening of ultra-large chemical libraries with deep docking
Francesco Gentile, Jean Charle Yaacoub, James Gleave, Michael Fernandez, Anh-Tien Ton, Fuqiang Ban, Abraham Stern, and Artem Cherkasov. 2022 · 2022
Cited alongside, same era.
Fantastically ordered prompts and where to find them: Overcoming few-shot prompt order sensitivity
Yao Lu, Max Bartolo, Alastair Moore, Sebastian Riedel, and Pontus Stenetorp. 2022 · 2022
Cited alongside, same era.