residual-dipolar-coupling

Here are 3 public repositories matching this topic...

elkins-lab / resonance-flow

JAX-native differentiable protein folding framework integrating experimental NMR constraints (RDCs) and biophysical "self-correction." Several Jupyter Notebooks visualize the concepts.

machine-learning bioinformatics structural-biology flax biophysics nmr-spectroscopy protein-folding protein-structure-prediction jax differentiable-programming protein-refinement computational-biophysics computational-structural-biology residual-dipolar-coupling

Updated Sep 3, 2026
Python

elkins-lab / diff-integrator

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Integrative Refinement Engine for Differentiable Biophysics in JAX

structural-biology scientific-computing nmr biophysics saxs small-angle-xray-scattering nmr-spectroscopy jax differential-programming computational-biophysics science-education computational-structural-biology residual-dipolar-coupling

Updated Jun 29, 2026
Python

elkins-lab / diff-biophys

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

structural-biology protein-data-bank scientific-computing nmr biophysics saxs small-angle-xray-scattering circular-dichroism nmr-spectroscopy structural-bioinformatics jax differentiable-programming computational-biophysics science-education computational-structural-biology residual-dipolar-coupling

Updated Jun 30, 2026
Python

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