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cs.LG2026
TACFormer: Transformer-Based Generative Model for Target-Conditioned De Novo PROTAC Design
Yossra Gharbi, Rocío Mercado
Targeted protein degradation (TPD) represents a fundamental shift in drug discovery, moving beyond traditional target inhibition toward the event-driven removal of disease-causing…
cs.LG2026
QT-Net: Rethinking Evaluation of AI Models in Atomic Chemical Space
Pablo Martínez Crespo, Stefano Ribes, Martin Rahm +6
Atomic properties such as partial charges or multipoles encode chemically meaningful information that can inform downstream molecular property prediction, but their evaluation as m…