paper-with-me

Papers

DeepProtein: Deep Learning Library and Benchmark for Protein Sequence Learning

2024-10-02 · Jiaqing Xie, Tianfan Fu

Deep learning has deeply influenced protein science, enabling breakthroughs in predicting protein properties, higher-order structures, and molecular interactions. This paper introduces DeepProtein, a comprehensive and user-friendly deep learning library tailored for protein-related tasks. It enables researchers to seamlessly address protein data with cutting-edge deep learning models. To assess model performance, we establish a benchmark evaluating different deep learning architectures across multiple protein-related tasks, including protein function prediction, subcellular localization prediction, protein-protein interaction prediction, and protein structure prediction. Furthermore, we introduce DeepProt-T5, a series of fine-tuned Prot-T5-based models that achieve state-of-the-art performance on four benchmark tasks, while demonstrating competitive results on six of others. Comprehensive documentation and tutorials are available which could ensure accessibility and support reproducibility. Built upon the widely used drug discovery library DeepPurpose, DeepProtein is publicly available at https://github.com/jiaqingxie/DeepProtein.

📄 PDF Abstract BibTeX arXiv:2410.02023

Code (1)

jiaqingxie/deepprotein 공식 구현 pytorch

Tasks

Deep LearningDrug DiscoveryGraph Neural NetworkPredictionProtein Function PredictionProtein Structure Prediction

Methods 이 논문이 사용한 방법론

Attention 설명 없음
LapEigen 설명 없음
Dense Connections Dense Connections, or Fully Connected Connections, are a type of layer in a deep neural network that use a linear operation where every input is connected to every output…
Adam 설명 없음
Linear Layer A Linear Layer is a projection $\mathbf{XW + b}$.
Residual Connection 설명 없음
Position-Wise Feed-Forward Layer 설명 없음
Label Smoothing Label Smoothing is a regularization technique that introduces noise for the labels. This accounts for the fact that datasets may have mistakes in them, so maximizing the…

Similar Papers 제목 키워드 기반

TorchProteinLibrary: A computationally efficient, differentiable representation of protein structure

2018-11-23 · Derevyanko Georgy, Lamoureux Guillaume

Predicting the structure of a protein from its sequence is a cornerstone task of molecular biology. Established methods in the field, such as homology modeling and fragment assembly, appeared to have reached their limit.…

Protein FoldingReinforcement Learning (RL)

Guiding Discovery of Protein Sequence-Structure-Function Modeling

2023-07-16 · bioRxiv 2023 7 · Azam Hussain, Charles L. Brooks III

Protein engineering techniques are key in designing novel catalysts for a wide range of reactions. Although approaches vary in their exploration of the sequence-structure-function paradigm, they are often hampered by the…

seqme: a Python library for evaluating biological sequence design

2025-11-06 · Rasmus Møller-Larsen, Adam Izdebski, Jan Olszewski, Pankhil Gawade 외 arxiv

Recent advances in computational methods for designing biological sequences have sparked the development of metrics to evaluate these methods performance in terms of the fidelity of the designed sequences to a target dis…

Machine Learning for Protein Engineering

2023-05-26 · Kadina E. Johnston, Clara Fannjiang, Bruce J. Wittmann, Brian L. Hie 외

Directed evolution of proteins has been the most effective method for protein engineering. However, a new paradigm is emerging, fusing the library generation and screening approaches of traditional directed evolution wit…

Linear-scaling kernels for protein sequences and small molecules outperform deep learning while providing uncertainty quantitation and improved interpretability

2023-02-07 · Jonathan Parkinson, Wei Wang

Gaussian process (GP) is a Bayesian model which provides several advantages for regression tasks in machine learning such as reliable quantitation of uncertainty and improved interpretability. Their adoption has been pre…

Data VisualizationDrug DiscoveryFormation EnergyProtein Function Prediction