no code implementations • 11 Feb 2024 • Taojie Kuang, PengFei Liu, Zhixiang Ren
The precise prediction of molecular properties is essential for advancements in drug development, particularly in virtual screening and compound optimization.
no code implementations • 28 Sep 2023 • Taojie Kuang, Yiming Ren, Zhixiang Ren
Molecular property prediction, crucial for early drug candidate screening and optimization, has seen advancements with deep learning-based methods.