A deep learning method that identifies improved protein conformational states in trajectory data from refinement simulations
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Updated
Mar 3, 2018 - Python
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protein-refinement
Here are 3 public repositories matching this topic...
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
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Sep 3, 2026 - Python
GNN-based protein structure refinement using JAX-differentiable kinematics to fit solution-state experimental data (SAXS/NMR).
bioinformatics structural-biology nmr saxs small-angle-xray-scattering nmr-spectroscopy protein-folding jax differentiable-programming protein-refinement graph-neural-networks graph-neural-network computational-biophysics gnn-model science-education computational-structural-biology
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Updated
Jun 29, 2026 - Python
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