Coley, Connor

10 publications

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

NeurIPS 2023 Prefix-Tree Decoding for Predicting Mass Spectra from Molecules Samuel Goldman, John Bradshaw, Jiayi Xin, Connor Coley

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

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

NeurIPS 2021 GeoMol: Torsional Geometric Generation of Molecular 3D Conformer Ensembles Octavian Ganea, Lagnajit Pattanaik, Connor Coley, Regina Barzilay, Klavs Jensen, William Green, Tommi Jaakkola

NeurIPS 2021 Learning Graph Models for Retrosynthesis Prediction Vignesh Ram Somnath, Charlotte Bunne, Connor Coley, Andreas Krause, Regina Barzilay

ICML 2021 Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction Hangrui Bi, Hengyi Wang, Chence Shi, Connor Coley, Jian Tang, Hongyu Guo

ICML 2020 Learning to Navigate the Synthetically Accessible Chemical Space Using Reinforcement Learning Sai Krishna Gottipati, Boris Sattarov, Sufeng Niu, Yashaswi Pathak, Haoran Wei, Shengchao Liu, Shengchao Liu, Simon Blackburn, Karam Thomas, Connor Coley, Jian Tang, Sarath Chandar, Yoshua Bengio

NeurIPS 2019 Retrosynthesis Prediction with Conditional Graph Logic Network Hanjun Dai, Chengtao Li, Connor Coley, Bo Dai, Le Song

NeurIPS 2017 Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network Wengong Jin, Connor Coley, Regina Barzilay, Tommi Jaakkola