2 papers
cs.LG2026
PLANET v2.0: A comprehensive Protein-Ligand Affinity Prediction Model Based on Mixture Density Network
Haotian Gao, Xiangying Zhang, Jingyuan Li +4
Drug discovery represents a time-consuming and financially intensive process, and virtual screening can accelerate it. Scoring functions, as one of the tools guiding virtual screen…
cs.LG2025
COMET:Combined Matrix for Elucidating Targets
Haojie Wang, Zhe Zhang, Haotian Gao +7
Identifying the interaction targets of bioactive compounds is a foundational element for deciphering their pharmacological effects. Target prediction algorithms equip researchers w…