Hekstra Lab

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  1. A small library implementing phase retrieval algorithms for 2D images.

    Jupyter Notebook 29 10

  2. 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

  3. Tools for running MD simulations in OpenMM

    Python 6 3

  4. Notebooks from a three day introduction to scientific computing in python at Harvard University.

    Jupyter Notebook 3 3

  5. Setup and analysis of MD simulations mimicking the application of an external electric field to a protein crystal.

    Jupyter Notebook 3 1