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

Badri Adhikari1

  • 1Department of Computer Science, University of Missouri-St. Louis, St. Louis, MO, 63132, USA. adhikarib@umsl.edu.

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|August 10, 2020
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Summary
This summary is machine-generated.

We introduce Protein Distance NET (PDNET), a framework with a curated dataset and scripts to accelerate deep learning for protein structure prediction. PDNET aids in developing novel methods for inter-residue distance prediction.

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Area of Science:

  • Computational biology
  • Structural bioinformatics
  • Deep learning

Background:

  • Deep learning significantly advances protein structure prediction.
  • Inter-residue distance prediction is crucial for accurate protein models.
  • Current deep learning methods for distance prediction are nascent.

Purpose of the Study:

  • To develop a specialized dataset and framework for advancing deep learning in protein structure prediction.
  • To facilitate faster development and testing of novel deep learning methods for inter-residue distance prediction.
  • To provide tools for training and testing models in accessible environments like Google Colab.

Main Methods:

  • Introduction of the Protein Distance NET (PDNET) framework.
  • Curated a small, representative dataset for protein structure prediction tasks.
  • Provided scripts for dataset curation, feature generation, and distance map creation.
  • Enabled training and testing of deep learning models via web browsers (e.g., Google Colab).

Main Results:

  • PDNET offers a streamlined approach to developing deep learning models for protein structure prediction.
  • The framework supports the prediction of contacts, distance intervals, and real-valued distances.
  • Facilitates reproducible research and faster iteration in the field.

Conclusions:

  • PDNET addresses the need for efficient datasets and tools in deep learning for protein structure prediction.
  • The framework is versatile, supporting various prediction tasks and accessible platforms.
  • PDNET is poised to accelerate progress in computational structural biology.