semvec/pypi-packages huggingface dataset:
compressTraj 2024.0
Using AutoEncoders to compress molecular dynamics trajectories.
Requires Python: >=3.6

# Trajectory Analysis and Autoencoder Package

This package provides a set of functions and classes to process molecular dynamics (MD) trajectories and implement autoencoders for dimensionality reduction and reconstruction of trajectory data. The package uses PyTorch, PyTorch Lightning, and MDAnalysis for these purposes.

## Installation

Clone the repository and navigate into the project directory:

```bash
git clone https://github.com/yourusername/your-repo.git
cd your-repo
``````