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Add Tutorial for Analyzing MD Trajectories Using Deeptime #294

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This pull request adds a Jupyter Notebook tutorial (md_trajectory_tutorial.ipynb) demonstrating how to analyze molecular dynamics (MD) trajectories using Deeptime library. The tutorial covers loading trajectories, performing Time-lagged Independent Component Analysis (TICA), and visualizing results.
Changes Made

  • Added md_trajectory_tutorial.ipynb with detailed instructions and code examples.
  • Included explanations and comments throughout the notebook for clarity.
    Purpose
    The purpose of this pull request is to provide a comprehensive guide for users interested in leveraging Deeptime for MD trajectory analysis. This tutorial enhances the repository's documentation and educational resources.

Checklist

  • Verified functionality of code examples.
  • Checked formatting and readability of the tutorial.

Author : Jilsy Xavier
[email protected]

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codecov bot commented Jun 28, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 92.02%. Comparing base (d8596f1) to head (51264f7).

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #294      +/-   ##
==========================================
- Coverage   92.16%   92.02%   -0.15%     
==========================================
  Files         142      142              
  Lines       11653    11517     -136     
==========================================
- Hits        10740    10598     -142     
- Misses        913      919       +6     

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