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Add Tutorial for Analyzing MD Trajectories Using Deeptime
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]