低温电镜基础模型预训练的大规模策划和可过滤数据集。

IF 6.9 2区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES
Qihe Chen, Zhenyang Xu, Haizhao Dai, Yingjun Shen, Jiakai Zhang, Zhijie Liu, Yuan Pei, Jingyi Yu
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引用次数: 0

摘要

低温电子显微镜(cryo-EM)是一种变革性的成像技术,可以实现目标生物分子的近原子分辨率3D重建,在结构生物学和药物发现中发挥着关键作用。由于其极低的信噪比(SNR), Cryo-EM面临着巨大的挑战,数据处理的复杂性变得尤为明显。为了应对这一挑战,基础模型在其他生物成像领域显示出巨大的潜力。然而,由于缺乏大规模、高质量的数据集,它们在低温电镜中的应用受到了限制。为了填补这一空白,我们引入了CryoCRAB,这是第一个用于低温电镜基础模型的大规模数据集。CryoCRAB包含746种蛋白质,包含152,385组原始电影帧(总计116.8 TB)。为了解决低温电镜数据的高噪声特性,每个电影被分成奇数帧和偶数帧,以生成成对的显微图,用于去噪任务。数据集采用HDF5分块格式存储,显著提高了随机采样效率和训练速度。CryoCRAB为cryo-EM基础模型提供了多种数据支持,使下游任务的图像去噪和通用特征提取取得了进步。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A large-scale curated and filterable dataset for cryo-EM foundation model pre-training.

Cryo-electron microscopy (cryo-EM) is a transformative imaging technology that enables near-atomic resolution 3D reconstruction of target biomolecule, playing a critical role in structural biology and drug discovery. Cryo-EM faces significant challenges due to its extremely low signal-to-noise ratio (SNR) where the complexity of data processing becomes particularly pronounced. To address this challenge, foundation models have shown great potential in other biological imaging domains. However, their application in cryo-EM has been limited by the lack of large-scale, high-quality datasets. To fill this gap, we introduce CryoCRAB, the first large-scale dataset for cryo-EM foundation models. CryoCRAB includes 746 proteins, comprising 152,385 sets of raw movie frames (116.8 TB in total). To tackle the high-noise nature of cryo-EM data, each movie is split into odd and even frames to generate paired micrographs for denoising tasks. The dataset is stored in HDF5 chunked format, significantly improving random sampling efficiency and training speed. CryoCRAB offers diverse data support for cryo-EM foundation models, enabling advancements in image denoising and general-purpose feature extraction for downstream tasks.

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来源期刊
Scientific Data
Scientific Data Social Sciences-Education
CiteScore
11.20
自引率
4.10%
发文量
689
审稿时长
16 weeks
期刊介绍: Scientific Data is an open-access journal focused on data, publishing descriptions of research datasets and articles on data sharing across natural sciences, medicine, engineering, and social sciences. Its goal is to enhance the sharing and reuse of scientific data, encourage broader data sharing, and acknowledge those who share their data. The journal primarily publishes Data Descriptors, which offer detailed descriptions of research datasets, including data collection methods and technical analyses validating data quality. These descriptors aim to facilitate data reuse rather than testing hypotheses or presenting new interpretations, methods, or in-depth analyses.
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