17 projects
synth-xtal
Simulate X-ray crystallography diffraction data from atomic models.
synth-saxs
Education-focused SAXS profile simulation from protein coordinates
diff-biophys
Differentiable biophysical modeling in JAX
synth-core
Core biophysics algorithms and mathematical utilities for the Elkins Biophysics Suite
synth-dynamics
Time-Resolved Ensemble Generator using Coarse-Grained ENM Langevin Dynamics
synth-cryo-em
Synthetic Cryo-EM map generator from PDB models
synth-nmr
NMR spectroscopy calculations for protein structures
diff-em
Differentiable Cryo-EM map fitting in JAX
diff-fret
Differentiable FRET distance distribution modeling in JAX
diff-hdx
Differentiable HDX-MS prediction in JAX
diff-epr
Differentiable EPR distance distribution modeling in JAX
torsiontuner
GNN-based protein structure refinement via differentiable torsions
synth-afm
Synthetic High-Speed AFM image generation with differentiable kernels
diff-ensemble
Differentiable VAE-based structural ensemble prediction for disordered proteins
resonance-flow
Self-correcting protein folding with differentiable NMR constraints
synth-pdb
Generate realistic PDB files with mixed secondary structures for bioinformatics testing, education and tool development
orbital-play
OrbitalPlay: Interactive Molecular Orbital Education
