Publications (*equal contribution)
Foundation models for discovery and exploration in chemical space
Alexius Wadell, Anoushka Bhutani, Victor Azumah, Austin R. Ellis-Mohr, Andrew J. Stier, Kareem Hegazy, Alexander Brace, Hancheng Zhao, Celia Kelly, Anuj K. Nayak, Yuhan Chen, Dimitrios Simatos, Hongyi Lin, Murali Emani, Venkatram Vishwanath, Kevin Gering, Melisa Alkan, Tom Gibbs, Jack Wells, Wesley W. Qian, Richard C. Gerkin, Benjamin Amorelli, Alexander B. Wiltschko, Lav R. Varshney, Bharath Ramsundar, Karthik Duraisamy, Michael W. Mahoney, Arvind Ramanathan, Venkatasubramanian Viswanathan
A deep learning and digital archaeology approach for mosquito repellent discovery
Jennifer N. Wei*, Carlos Ruiz*, Marnix Vlot*, Benjamin Sanchez-Lengeling, Brian K. Lee, Luuk Berning, Martijn W. Vos, Rob WM Henderson, Wesley W. Qian, Jacob N. Sanders, D. Michael Ando, Kurt M. Groetsch, Richard C. Gerkin, Alexander B. Wiltschko, Jeffrey A. Riffell, Koen J. Dechering
New York Smells: a large multimodal dataset for olfaction
Ege Ozguroglu, Junbang Liang, Ruoshi Liu, Mia Chiquier, Michael DeTienne, Wesley W. Qian, Alexandra Horowitz, Andrew Owens, Carl Vondrick
Pervasive mislocalization of pathogenic coding variants underlying human disorders
Jessica Lacoste, Marzieh Haghighi, Shahan Haider, Chloe Reno, Zhen-Yuan Lin, Dmitri Segal, Wesley W. Qian, Xueting Xiong, Tanisha Teelucksingh, Esteban Miglietta, Hamdah Shafqat-Abbasi, Pearl V. Ryder, Rebecca Senft, Beth A. Cimini, Ryan R. Murray, Chantal Nyirakanani, Tong Hao, Gregory G. McClain, Frederick P. Roth, Michael A. Calderwood, David E. Hill, Marc Vidal, S Stephen Yi, Nidhi Sahni, Jian Peng, Anne-Claude Gingras, Shantanu Singh, Anne E. Carpenter, Mikko Taipale
A principal odor map unifies diverse tasks in human olfactory perception
Brian K. Lee*, Emily J. Mayhew*, Benjamin Sanchez-Lengeling, Jennifer N. Wei, Wesley W. Qian, Kelsie A. Little, Matthew Andres, Britney B. Nguyen, Theresa Moloy, Jacob Yasonik, Jane K. Parker, Richard C. Gerkin, Joel D. Mainland, Alexander B. Wiltschko
3D equivariant diffusion for target-aware molecule generation and affinity prediction
Jiaqi Guan*, Wesley W. Qian*, Xingang Peng, Yufeng Su, Jian Peng, Jianzhu Ma
Metabolic activity organizes olfactory representations
Wesley W. Qian, Jennifer N. Wei, Benjamin Sanchez-Lengeling, Brian K. Lee, Yunan Luo, Marnix Vlot, Koen Dechering, Jian Peng, Richard C. Gerkin, Alexander B. Wiltschko
A central chaperone-like role for 14-3-3 proteins in human cells
Dmitri Segal, Stefan Maier, Giovanni J Mastromarco, Wesley W. Qian, Syed Nabeel-Shah, Hyunmin Lee, Gaelen Moore, Jessica Lacoste, Brett Larsen, Zhen-Yuan Lin, Abeeshan Selvabaskaran, Karen Liu, Craig Smibert, Zhaolei Zhang, Jack Greenblatt, Jian Peng, Hyun O Lee, Anne-Claude Gingras, Mikko Taipale
Energy-inspired molecular conformation optimization
Jiaqi Guan*, Wesley W. Qian*, Qiang Liu, Wei-Ying Ma, Jianzhu Ma, Jian Peng
ECNet is an evolutionary context-integrated deep learning framework for protein engineering
Yunan Luo*, Guangde Jiang*, Tianhao Yu, Yang Liu, Lam Vo, Hantian Ding, Yufeng Su, Wesley W. Qian, Huimin Zhao, Jian Peng
Comprehensive interactome profiling of the human Hsp70 network highlights functional differentiation of J domains
Benjamin L. Piette, Nader Alerasool, Zhen-Yuan Lin, Jessica Lacoste, Mandy Hiu Yi Lam, Wesley W. Qian, Stephanie Tran, Brett Larsen, Eric Campos, Jian Peng, Anne-Claude Gingras, Mikko Taipale
Evaluating attribution for graph neural networks
Benjamin Sanchez-Lengeling, Jennifer Wei, Brian Lee, Emily Reif, Peter Wang, Wesley W. Qian, Kevin McCloskey, Lucy Colwell, Alexander B. Wiltschko
Batch equalization with a generative adversarial network
Wesley W. Qian, Cassandra Xia, Subhashini Venugopalan, Arunachalam Narayanaswamy, Michelle Dimon, George W. Ashdown, Jake Baum, Jian Peng, D Michael Ando
Evolutionary context-integrated deep sequence modeling for protein engineering
Yunan Luo, Lam Vo, Hantian Ding, Yufeng Su, Yang Liu, Wesley W. Qian, Huimin Zhao, Jian Peng
Integrating deep neural networks and symbolic inference for organic reactivity prediction
Wesley W. Qian*, Nathan T. Russell*, Claire L. W. Simons, Yunan Luo, Martin D. Burke, Jian Peng