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Related papers: Few Shot Protein Generation

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Denoising diffusion probabilistic models (DDPM) are powerful hierarchical latent variable models with remarkable sample generation quality and training stability. These properties can be attributed to parameter sharing in the generative…

Computer Vision and Pattern Recognition · Computer Science 2022-06-01 Giorgio Giannone , Didrik Nielsen , Ole Winther

Few-shot algorithms aim at learning new tasks provided only a handful of training examples. In this work we investigate few-shot learning in the setting where the data points are sequences of tokens and propose an efficient learning…

Machine Learning · Computer Science 2020-12-18 Lajanugen Logeswaran , Ann Lee , Myle Ott , Honglak Lee , Marc'Aurelio Ranzato , Arthur Szlam

Predicting protein secondary structure is a fundamental problem in protein structure prediction. Here we present a new supervised generative stochastic network (GSN) based method to predict local secondary structure with deep hierarchical…

Quantitative Methods · Quantitative Biology 2014-03-07 Jian Zhou , Olga G. Troyanskaya

This work demonstrates how a complete statistical model quantifying the evolution of pairs of aligned proteins can be constructed from a time-parameterised substitution matrix and a time-parameterised 3-state alignment machine. All…

Machine Learning · Computer Science 2020-10-05 Dinithi Sumanaweera , Lloyd Allison , Arun S. Konagurthu

Accurately predicting protein fitness with minimal experimental data is a persistent challenge in protein engineering. We introduce PRIMO (PRotein In-context Mutation Oracle), a transformer-based framework that leverages in-context learning…

Biomolecules · Quantitative Biology 2025-12-03 Felix Teufel , Aaron W. Kollasch , Yining Huang , Ole Winther , Kevin K. Yang , Pascal Notin , Debora S. Marks

Potts models and variational autoencoders (VAEs) have recently gained popularity as generative protein sequence models (GPSMs) to explore fitness landscapes and predict the effect of mutations. Despite encouraging results, quantitative…

Machine Learning · Computer Science 2022-01-05 Francisco McGee , Quentin Novinger , Ronald M. Levy , Vincenzo Carnevale , Allan Haldane

AlphaFold2 (AF2) has transformed protein structure prediction by harnessing co-evolutionary constraints embedded in multiple sequence alignments (MSAs). MSAs not only encode static structural information, but also hold critical details…

Biomolecules · Quantitative Biology 2025-03-04 Enming Xing , Junjie Zhang , Shen Wang , Xiaolin Cheng

Mass spectrometry is the dominant technology in the field of proteomics, enabling high-throughput analysis of the protein content of complex biological samples. Due to the complexity of the instrumentation and resulting data, sophisticated…

In this work we introduce RITA: a suite of autoregressive generative models for protein sequences, with up to 1.2 billion parameters, trained on over 280 million protein sequences belonging to the UniRef-100 database. Such generative models…

Quantitative Methods · Quantitative Biology 2022-07-18 Daniel Hesslow , Niccoló Zanichelli , Pascal Notin , Iacopo Poli , Debora Marks

The Gene or DNA sequence in every cell does not control genetic properties on its own; Rather, this is done through translation of DNA into protein and subsequent formation of a certain 3D structure. The biological function of a protein is…

Computational Engineering, Finance, and Science · Computer Science 2019-05-30 Leila Khalatbari , Mohammad Reza Kangavari , Saeid Hosseini , Hongzhi Yin , Ngai-Man Cheung

Designing novel functional proteins crucially depends on accurately modeling their fitness landscape. Given the limited availability of functional annotations from wet-lab experiments, previous methods have primarily relied on…

Machine Learning · Computer Science 2024-12-03 Zuobai Zhang , Pascal Notin , Yining Huang , Aurélie Lozano , Vijil Chenthamarakshan , Debora Marks , Payel Das , Jian Tang

Predicting the effect of mutations in proteins is one of the most critical challenges in protein engineering; by knowing the effect a substitution of one (or several) residues in the protein's sequence has on its overall properties, could…

Computational Engineering, Finance, and Science · Computer Science 2020-10-08 David Medina-Ortiz , Sebastian Contreras , Juan Amado-Hinojosa , Jorge Torres-Almonacid , Juan A. Asenjo , Marcelo Navarrete , Álvaro Olivera-Nappa

Proteins are dynamic, adopting ensembles of conformations. The nature of this conformational heterogenity is imprinted in the raw electron density measurements obtained from X-ray crystallography experiments. Fitting an ensemble of protein…

Quantitative Methods · Quantitative Biology 2024-12-19 Sai Advaith Maddipatla , Nadav Bojan Sellam , Sanketh Vedula , Ailie Marx , Alex Bronstein

We review the recent progress in computational approaches to protein design which builds on advances in statistical-mechanical protein folding theory. In particular, we evaluate the degeneracy of the protein code (i.e. how many sequences…

Condensed Matter · Physics 2007-05-23 E. I. Shakhnovich

Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of…

Biomolecules · Quantitative Biology 2024-09-27 Bowen Jing , Hannes Stärk , Tommi Jaakkola , Bonnie Berger

The sequence of a protein is not only constrained by its physical and biochemical properties under current selection, but also by features of its past evolutionary history. Understanding the extent and the form that these evolutionary…

Populations and Evolution · Quantitative Biology 2015-06-22 Mathieu Hemery , Olivier Rivoire

Adeno-associated viral (AAV) vectors are widely used delivery platforms in gene therapy, and the design of improved capsids is key to expanding their therapeutic potential. A central challenge in AAV bioengineering, as in protein design…

High throughput sequencing techniques have highly impactedon modern biology, widening the gap between sequenced andannotated data. Automatic annotation tools are thereforeof the foremost importance to guide biologists' experiments. However,…

Machine Learning · Statistics 2016-10-02 Luca Masera

The dominant approach to sequence generation is to produce a sequence in some predefined order, e.g. left to right. In contrast, we propose a more general model that can generate the output sequence by inserting tokens in any arbitrary…

Computation and Language · Computer Science 2019-11-04 Dmitrii Emelianenko , Elena Voita , Pavel Serdyukov

Understanding sub-cellular protein localisation is an essential component to analyse context specific protein function. Recent advances in quantitative mass-spectrometry (MS) have led to high resolution mapping of thousands of proteins to…

Applications · Statistics 2019-03-12 Oliver M. Crook , Kathryn S. Lilley , Laurent Gatto , Paul D. W. Kirk
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