TS-DART documentation

TS-DART identifies transition states of protein conformational changes from MD simulations via out-of-distribution detection (OOD) in the hyperspherical latent space.

GitHub repo: https://github.com/xuhuihuang/ts-dart

Contents:

• Brief intro
  • Abstract
  • Illustration
• Installation
  • System requires
  • Installation for source
• Tutorials
  • Jupyter notebook examples
  • Start with python script
• tsdart package
  • tsdart.dataprocessing module
  • tsdart.loss module
  • tsdart.model module
  • tsdart.utils module