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@elkins-lab

Elkins Lab

Computational biophysics at the intersection of NMR spectroscopy, SAXS, Cryo-EM and machine learning. Open-source tools for structural biology.

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  1. synth-nmr synth-nmr Public

    NMR spectroscopy calculations for protein structures. Jupyter Notebook tutorials are available to visualize the concepts.

    Python 2

  2. synth-cryo-em synth-cryo-em Public

    Generate realistic synthetic 3D Cryo-EM densities from structural models for testing algorithms and training ML models.

    Python 2

  3. diff-fret diff-fret Public

    Differentiable FRET distance distribution modeling in JAX

    Python 2

  4. diff-em diff-em Public

    Differentiable Cryo-EM map fitting in JAX

    Python 2

  5. synth-pdb synth-pdb Public

    Generate realistic PDB files with mixed secondary structures for testing, education and bioinformatics tool development. Jupyter Notebook tutorials are available to visualize the concepts..

    Python 1

  6. diff-biophys diff-biophys Public

    Differentiable biophysical modeling in JAX (SAXS, NMR, CD), with Jupyter Notebook examples.

    Python 1

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