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pro vyhledávání: '"LEWIS, SARAH"'
Autor:
Yim, Jason, Campbell, Andrew, Mathieu, Emile, Foong, Andrew Y. K., Gastegger, Michael, Jiménez-Luna, José, Lewis, Sarah, Satorras, Victor Garcia, Veeling, Bastiaan S., Noé, Frank, Barzilay, Regina, Jaakkola, Tommi S.
Publikováno v:
Transactions on Machine Learning Research 2024
Protein design often begins with the knowledge of a desired function from a motif which motif-scaffolding aims to construct a functional protein around. Recently, generative models have achieved breakthrough success in designing scaffolds for a range
Externí odkaz:
http://arxiv.org/abs/2401.04082
Autor:
Zeni, Claudio, Pinsler, Robert, Zügner, Daniel, Fowler, Andrew, Horton, Matthew, Fu, Xiang, Shysheya, Sasha, Crabbé, Jonathan, Sun, Lixin, Smith, Jake, Nguyen, Bichlien, Schulz, Hannes, Lewis, Sarah, Huang, Chin-Wei, Lu, Ziheng, Zhou, Yichi, Yang, Han, Hao, Hongxia, Li, Jielan, Tomioka, Ryota, Xie, Tian
The design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture. Generative models provide a new paradigm for materials design by directly generatin
Externí odkaz:
http://arxiv.org/abs/2312.03687
Autor:
Tripp, Austin, Maziarz, Krzysztof, Lewis, Sarah, Segler, Marwin, Hernández-Lobato, José Miguel
Retrosynthesis is the task of planning a series of chemical reactions to create a desired molecule from simpler, buyable molecules. While previous works have proposed algorithms to find optimal solutions for a range of metrics (e.g. shortest, lowest-
Externí odkaz:
http://arxiv.org/abs/2310.09270
Autor:
Yim, Jason, Campbell, Andrew, Foong, Andrew Y. K., Gastegger, Michael, Jiménez-Luna, José, Lewis, Sarah, Satorras, Victor Garcia, Veeling, Bastiaan S., Barzilay, Regina, Jaakkola, Tommi, Noé, Frank
We present FrameFlow, a method for fast protein backbone generation using SE(3) flow matching. Specifically, we adapt FrameDiff, a state-of-the-art diffusion model, to the flow-matching generative modeling paradigm. We show how flow matching can be a
Externí odkaz:
http://arxiv.org/abs/2310.05297