May 14, 2024, 7:15 a.m. | Sana Hassan


Advances in deep learning have revolutionized molecule structure prediction, but real-world applications often require understanding equilibrium distributions rather than just single structures. Current methods, like molecular dynamics simulations, are computationally intensive and insufficient for capturing the full range of molecular flexibility. Equilibrium distribution prediction is crucial for assessing macroscopic properties and functional states of molecules […]

The post Microsoft Researchers Propose DiG: Transforming Molecular Modeling with Deep Learning for Equilibrium Distribution Prediction appeared first on MarkTechPost.

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