Isayev, Olexandr

4 publications

NeurIPSW 2024 Applications of Modular Co-Design for De Novo 3D Molecule Generation Danny Reidenbach, Filipp Nikitin, Olexandr Isayev, Saee Gopal Paliwal

ICLR 2024 Learning over Molecular Conformer Ensembles: Datasets and Benchmarks Yanqiao Zhu, Jeehyun Hwang, Keir Adams, Zhen Liu, Bozhao Nan, Brock Stenfors, Yuanqi Du, Jatin Chauhan, Olaf Wiest, Olexandr Isayev, Connor W. Coley, Yizhou Sun, Wei Wang

AAAI 2024 Uncertainty-Aware Yield Prediction with Multimodal Molecular Features Jiayuan Chen, Kehan Guo, Zhen Liu, Olexandr Isayev, Xiangliang Zhang

NeurIPSW 2023 Learning over Molecular Conformer Ensembles: Datasets and Benchmarks Yanqiao Zhu, Jeehyun Hwang, Keir Adams, Zhen Liu, Bozhao Nan, Brock Stenfors, Yuanqi Du, Jatin Chauhan, Olaf Wiest, Olexandr Isayev, Connor Coley, Yizhou Sun, Wei Wang