NVIDIA
NVIDIA
DualBind
Collection
NVIDIA
NVIDIA
DualBind

BioNeMo DualBind Model Weights

DualBind is a state-of-the-art 3D structure-based deep learning model that predicts protein-ligand binding affinity, which plays a critical role in drug discovery. It leverages 3D structural information and employs a dual-loss framework to effectively learn the binding energy landscape. Trained on AB-FEP-calculated labels, DualBind achieves accurate and generalizable predictions at a fraction of the computational cost of physics-based approaches.

DualBind
Publisher
NVIDIA
NVIDIA
UpdatedJuly 17, 2025 UTC

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