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DualBind

DualBind

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Description
BioNeMo DualBind Model Weights
Curator
NVIDIA
Modified
July 17, 2025
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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.