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A fully open-source framework for deep learning protein real-valued distances

机译:深度开源框架,用于深度学习蛋白真实值距离

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As deep learning algorithms drive the progress in protein structure prediction, a lot remains to be studied at this merging superhighway of deep learning and protein structure prediction. Recent findings show that inter-residue distance prediction, a more granular version of the well-known contact prediction problem, is a key to predicting accurate models. However, deep learning methods that predict these distances are still in the early stages of their development. To advance these methods and develop other novel methods, a need exists for a small and representative dataset packaged for faster development and testing. In this work, we introduce protein distance net (PDNET), a framework that consists of one such representative dataset along with the scripts for training and testing deep learning methods. The framework also includes all the scripts that were used to curate the dataset, and generate the input features and distance maps. Deep learning models can also be trained and tested in a web browser using free platforms such as Google Colab. We discuss how PDNET can be used to predict contacts, distance intervals, and real-valued distances.
机译:随着深度学习算法驱动蛋白质结构预测的进展,在这种深度学习和蛋白质结构预测的合并高速公路上仍有许多遗留。最近的发现表明,残留帧距离预测,更熟知的联系预测问题的更粒度,是预测准确模型的关键。然而,预测这些距离的深度学习方法仍处于发展的早期阶段。为了提高这些方法并开发其他新颖的方法,需要一种包装的小型和代表数据集以更快地开发和测试。在这项工作中,我们介绍蛋白质距离网(PDNet),这是一个框架,包括一个这样的代表数据集以及用于训练和测试深度学习方法的脚本。该框架还包括用于策划数据集的所有脚本,并生成输入功能和距离图。深入学习模型也可以使用谷歌Colab等免费平台在Web浏览器中进行培训和测试。我们讨论PDNet如何用于预测触点,距离间隔和实值距离。

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