Gao, Wenhao

12 publications

ICLR 2025 Efficient Evolutionary Search over Chemical Space with Large Language Models Haorui Wang, Marta Skreta, Cher Tian Ser, Wenhao Gao, Lingkai Kong, Felix Strieth-Kalthoff, Chenru Duan, Yuchen Zhuang, Yue Yu, Yanqiao Zhu, Yuanqi Du, Alan Aspuru-Guzik, Kirill Neklyudov, Chao Zhang

NeurIPS 2024 Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search Kevin Yu, Jihye Roh, Ziang Li, Wenhao Gao, Runzhong Wang, Connor W. Coley

ICMLW 2024 Efficient Evolutionary Search over Chemical Space with Large Language Models Haorui Wang, Marta Skreta, Yuanqi Du, Wenhao Gao, Lingkai Kong, Cher Tian Ser, Felix Strieth-Kalthoff, Chenru Duan, Yuchen Zhuang, Yue Yu, Yanqiao Zhu, Alan Aspuru-Guzik, Kirill Neklyudov, Chao Zhang

ICMLW 2024 Efficient Evolutionary Search over Chemical Space with Large Language Models Haorui Wang, Marta Skreta, Yuanqi Du, Wenhao Gao, Lingkai Kong, Cher Tian Ser, Felix Strieth-Kalthoff, Chenru Duan, Yuchen Zhuang, Yue Yu, Yanqiao Zhu, Alan Aspuru-Guzik, Kirill Neklyudov, Chao Zhang

ICML 2024 Projecting Molecules into Synthesizable Chemical Spaces Shitong Luo, Wenhao Gao, Zuofan Wu, Jian Peng, Connor W. Coley, Jianzhu Ma

NeurIPSW 2024 Signals in the Cells: Multimodal and Contextualized Machine Learning Foundations for Therapeutics Alejandro Velez-Arce, Kexin Huang, Michelle M Li, Xiang Lin, Wenhao Gao, Bradley Pentelute, Tianfan Fu, Manolis Kellis, Marinka Zitnik

ICLR 2022 Amortized Tree Generation for Bottom-up Synthesis Planning and Synthesizable Molecular Design Wenhao Gao, Rocío Mercado, Connor W. Coley

ICLR 2022 Differentiable Scaffolding Tree for Molecule Optimization Tianfan Fu, Wenhao Gao, Cao Xiao, Jacob Yasonik, Connor W. Coley, Jimeng Sun

NeurIPS 2022 Reinforced Genetic Algorithm for Structure-Based Drug Design Tianfan Fu, Wenhao Gao, Connor Coley, Jimeng Sun

ICMLW 2022 Reinforced Genetic Algorithm for Structure-Based Drug Design Tianfan Fu, Wenhao Gao, Connor W. Coley, Jimeng Sun

NeurIPS 2022 Sample Efficiency Matters: A Benchmark for Practical Molecular Optimization Wenhao Gao, Tianfan Fu, Jimeng Sun, Connor Coley

ICMLW 2022 Sample Efficiency Matters: A Benchmark for Practical Molecular Optimization Wenhao Gao, Tianfan Fu, Jimeng Sun, Connor W. Coley