Hekstra Lab
A small library implementing phase retrieval algorithms for 2D images.
Jupyter Notebook 29 10
Calculate protein structural representations (dihedral angles, CA pairwise distances, and strain analysis) for downstream analysis (e.g., PCA, t-SNE, or UMAP).
Jupyter Notebook 9 1
Tools for running MD simulations in OpenMM
Python 6 3
Notebooks from a three day introduction to scientific computing in python at Harvard University.
Jupyter Notebook 3 3
Setup and analysis of MD simulations mimicking the application of an external electric field to a protein crystal.
Jupyter Notebook 3 1