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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-pdb synth-pdbPublic

    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 2

  2. synth-nmr synth-nmrPublic

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

    Python 2

  3. synth-cryo-em synth-cryo-emPublic

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

    Python 2

  4. diff-fret diff-fretPublic

    Differentiable FRET distance distribution modeling in JAX

    Python 2

  5. diff-em diff-emPublic

    Differentiable Cryo-EM map fitting in JAX

    Python 2

  6. open-bcif open-bcifPublic

    High-performance, streaming-first toolkit for manipulating and validating BinaryCIF (BCIF) files at scale. Designed for structural biology.

    Rust 1

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