Academic Academic Research

Yet Another Trajectory Interface (YetI)

Software Developer 2 years 3 months

Built YetI from scratch as a focused Python 3 successor to NucleoSim for feature engineering and large-scale biomolecular simulation analysis.

Highlights

Architected and implemented the tool from scratch as a focused rewrite for biomolecular simulation workflows.
Developed feature-engineering capabilities that derived analytically useful properties such as hydrogen bonds, angles, and base-pair features from XYZ coordinate data.
Improved extraction performance through multithreading and targeted code optimizations.
Built extensive automated tests and CI pipelines to improve reliability and support continued research use.

Python

numpy mdtraj unittest threading

CI/CD Pipelines

GitHub Actions Travis CI