PyPI
elkins-lab/synth-pdb
Generate realistic PDB files with mixed secondary structures for testing, education and bioinformatics tool development. Jupyter Notebook tutorials are available to visualize the concepts..
MITSep 9, 2026 · metrics 2.10.0
All tags
Catalogue tag
#computational-structural-biology
Every repository in the public record carrying this tag — from its GitHub topics or the keywords its package registries publish. Health is measured under the same versioned methodology as the rest of the record.
8 records
PyPI
elkins-lab/diff-biophys
Differentiable biophysical modeling in JAX (SAXS, NMR, CD), with Jupyter Notebook examples.
MITSep 9, 2026 · metrics 2.10.0
PyPI
elkins-lab/synth-saxs
A lightweight Python library for simulating Small-Angle X-ray Scattering (SAXS) profiles from protein coordinates, with Jupyter Notebook examples.
MITSep 9, 2026 · metrics 2.10.0
PyPI
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.
MITSep 9, 2026 · metrics 2.10.0
PyPI
elkins-lab/synth-nmr
NMR spectroscopy calculations for protein structures. Jupyter Notebook tutorials are available to visualize the concepts.
MITSep 9, 2026 · metrics 2.10.0
PyPI
elkins-lab/diff-ensemble
Differentiable VAE framework for predicting protein structural ensembles (IDPs) consistent with SAXS and NMR data. Built on JAX/Flax.
MITSep 9, 2026 · metrics 2.10.0
PyPI
elkins-lab/synth-cryo-em
Generate realistic synthetic 3D Cryo-EM densities from structural models for testing algorithms and training ML models.
No licenseSep 9, 2026 · metrics 2.10.0
PyPI
elkins-lab/synth-dynamics
Fast Langevin dynamics engine using the Anisotropic Network Model (ANM) for rapid protein conformational ensemble generation.
MITSep 9, 2026 · metrics 2.10.0