Academic
Academic Research
NucleoSim
Software Developer
4 years 1 month
Built NucleoSim as a Python 2.7 tool for feature engineering and visualization in biomolecular simulation analysis before its growing scope led to the more focused YetI rewrite.
Highlights
- Developed the original codebase for feature extraction, visualization, and exploratory analysis in biomolecular simulation workflows.
- Implemented core derived features such as angles and distances from simulation coordinate data to support downstream analysis.
- Built automated tests, CI pipelines, and code documentation to improve reliability, maintainability, and reproducibility.
Technology Stack
Python
numpy
mdtraj
unittest
matplotlib
CI/CD Pipelines
Travis CI
Tags
#academic
#data-engineering
#data-visualization