NVIDIA AI Researchers Introduce ScaleFold: A Leap in High-Performance Computing for Protein Structure Prediction

In recent years, deep learning has been effective in high-performance computing. Surrogate models continue to advance, surpassing physics-based simulations in accuracy and utility. This AI-driven progress is evident in protein folding, exemplified by RoseTTAFold, AlphaFold2, OpenFold, and FastFold, democratizing protein structure-based drug discovery. AlphaFold, a breakthrough by DeepMind, achieved accuracy comparable to experimental methods, addressing […]

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