Microsoft AI Research introduces a new deep learning framework called Distributional Graphormer (DiG) to predict the equilibrium distribution of molecular systems.
https://arxiv.org/abs/2306.05445 The structure of a molecule determines its properties and functions. This is why structure prediction is an important problem in molecular science. Molecular scientists are appreciating the groundbreaking accuracy of deep learning approaches like AlphaFold and RoseTTAFold in identifying the most likely structures for proteins from their amino acid sequences. However, structural prediction can … Read more