Argonne National Laboratory & University of Chicago; Pacifiic Northwest National Laboratory & National Virtual Biotechnology Laboratory, US Department of Energy; University of Tennessee, Knoxville & Oak Ridge National Laboratory & National Virtual Biotechnology Laboratory, US Department of Energy; Argonne National Laboratory & National Virtual Biotechnology Laboratory, US Department of Energy; University of California, Berkeley & National Virtual Biotechnology Laboratory, US Department of Energy; Lawrence Berkeley National Laboratory & National Virtual Biotechnology Laboratory, US Department of Energy; University of Chicago; Oak Ridge National Laboratory & National Virtual Biotechnology Laboratory, US Department of Energy
Yulun Wu, Nicholas Choma, Andrew Chen, Mikaela Cashman, Erica Teixeira Prates, Veronica Melesse Vergara, Manesh Shah, Austin Clyde, Thomas Brettin, Wibe de Jong, Neeraj Kumar, Martha Head, Rick Stevens, Peter Nugent, Daniel Jacobson, James Brown
reinforcement learning;graph neural network;molecule generation;drug discovery;curiosity-driven policy
Spatial Graph Attention and Curiosity-driven Policy for Antiviral Drug Discovery