Brettin, Thomas

2 publications

NeurIPSW 2023 DrugImprover: Utilizing Reinforcement Learning for Multi-Objective Alignment in Drug Optimization Xuefeng Liu, Songhao Jiang, Archit Vasan, Alexander Brace, Ozan Gokdemir, Thomas Brettin, Fangfang Xia, Ian Foster, Rick Stevens

ICLR 2022 Spatial Graph Attention and Curiosity-Driven Policy for Antiviral Drug Discovery Yulun Wu, Nicholas Choma, Andrew Deru Chen, Mikaela Cashman, Erica Teixeira Prates, Veronica G Melesse Vergara, Manesh B Shah, Austin Clyde, Thomas Brettin, Wibe Albert de Jong, Neeraj Kumar, Martha S Head, Rick L. Stevens, Peter Nugent, Daniel A Jacobson, James B Brown