Hekstra Lab

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1. phase-retrieval phase-retrievalPublic

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

   Jupyter Notebook 29 9

2. SFcalculator SFcalculatorPublic

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3. colav colavPublic

   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

4. mdtools mdtoolsPublic

   Tools for running MD simulations in OpenMM

   Python 6 3

5. scientific-python-bootcamp scientific-python-bootcampPublic

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

   Jupyter Notebook 3 3

6. EF-X-crystal-MD EF-X-crystal-MDPublic

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

   Jupyter Notebook 3 1