PURE: Policy-guided Unbiased REpresentations for structure-constrained molecular generation Abhor Gupta, Barathi Lenin, Sean Current, Rohit Batra, Balaraman Ravindran, Karthik Raman, Srinivasan Parthasarathy
Preprint link: https://www.biorxiv.org/content/10.1101/2025.05.21.655002v1.abstract