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Graphormer

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| Shuaiwen Leon Song, Bonnie Kruft, Minjia Zhang, Conglong Li, Martin Cai, 和 Yuxiong He

Editor’s note, Sept. 28, 2023 – The foun…

A schematic diagram illustrating the goal of Distributional Graphormer (DiG). A molecular system is represented by a basic descriptor D, such as the amino acid sequence for a protein. DiG transforms D into a structural ensemble S, which consists of multiple possible conformations and their probabilities. S is expected to follow the equilibrium distribution of the molecular system. A legend shows a example of D and S for Adenylate kinase protein.
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Distributional Graphormer, Microsoft’s n…

Christopher Bishop, Technical Fellow and Director, Microsoft Research AI4Science
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| Christopher Bishop

Editor’s note, Oct. 20, 2023 – The post …