Search Results for author: Sarah Lewis

Found 4 papers, 4 papers with code

Improved motif-scaffolding with SE(3) flow matching

2 code implementations • 8 Jan 2024 • Jason Yim, Andrew Campbell, Emile Mathieu, Andrew Y. K. Foong, Michael Gastegger, José Jiménez-Luna, Sarah Lewis, Victor Garcia Satorras, Bastiaan S. Veeling, Frank Noé, Regina Barzilay, Tommi S. Jaakkola

Protein design often begins with the knowledge of a desired function from a motif which motif-scaffolding aims to construct a functional protein around.

Data Augmentation Diversity +1

258

Paper
Code

MatterGen: a generative model for inorganic materials design

2 code implementations • 6 Dec 2023 • Claudio Zeni, Robert Pinsler, Daniel Zügner, Andrew Fowler, Matthew Horton, Xiang Fu, Sasha Shysheya, Jonathan Crabbé, Lixin Sun, Jake Smith, Bichlien Nguyen, Hannes Schulz, Sarah Lewis, Chin-wei Huang, Ziheng Lu, Yichi Zhou, Han Yang, Hongxia Hao, Jielan Li, Ryota Tomioka, Tian Xie

We further introduce adapter modules to enable fine-tuning towards any given property constraints with a labeled dataset.

model

1,311

Paper
Code

Retro-fallback: retrosynthetic planning in an uncertain world

2 code implementations • 13 Oct 2023 • Austin Tripp, Krzysztof Maziarz, Sarah Lewis, Marwin Segler, José Miguel Hernández-Lobato

Retrosynthesis is the task of planning a series of chemical reactions to create a desired molecule from simpler, buyable molecules.

Retrosynthesis

138

Paper
Code

Fast protein backbone generation with SE(3) flow matching

2 code implementations • 8 Oct 2023 • Jason Yim, Andrew Campbell, Andrew Y. K. Foong, Michael Gastegger, José Jiménez-Luna, Sarah Lewis, Victor Garcia Satorras, Bastiaan S. Veeling, Regina Barzilay, Tommi Jaakkola, Frank Noé

We present FrameFlow, a method for fast protein backbone generation using SE(3) flow matching.

Protein Design

258

Paper
Code

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