TacoGFN: Target Conditioned GFlowNet for Structure-Based Drug Design. - Tony Shen; Mohit Pandey; Jason R. Smith 003; Artem Cherkasov; Martin Ester (CoRR, 2023)

Large-Scale Virtual Screening for the Discovery of SARS-CoV-2 Papain-like Protease (PLpro) Non-covalent Inhibitors. - Olivia Garland; Anh-Tien Ton; Shoeib Moradi; Jason R. Smith 003; Suzana Kovacic; Kurtis Ng; Mohit Pandey; Fuqiang Ban; Jaeyong Lee; Marija Vuckovic; Liam J. Worrall; Robert N. Young; et al. (J. Chem. Inf. Model., 2023)

TacoGFN: Target-conditioned GFlowNet for Structure-based Drug Design. - Tony Shen; Seonghwan Seo; Grayson Lee; Mohit Pandey; Jason R. Smith 003; Artem Cherkasov; Woo Youn Kim; Martin Ester (Trans. Mach. Learn. Res., 2024)