README.md

metadata

title: AlphaDynamics
emoji: 🧬
colorFrom: blue
colorTo: indigo
sdk: gradio
sdk_version: 5.49.0
app_file: app.py
pinned: false
license: apache-2.0
short_description: Predict protein torsion dynamics from sequence in 30 seconds
tags:
  - protein-dynamics
  - molecular-dynamics
  - ramachandran
  - torsion-angles
  - phase-oscillators
  - ml-for-biology

AlphaDynamics — interactive demo

Predicts protein torsion (φ, ψ) dynamics from sequence alone, in seconds, in your browser. Type a peptide sequence, see its Ramachandran density and basin populations.

• 2.39× lower JSD than Microsoft Timewarp on the canonical 4AA benchmark
• 3000× fewer parameters (~123K total vs Timewarp's 396M)
• Trained on 4–98 residue peptides; works best in that range
• Density only (not kinetics), backbone only (no side chains), monomer only

This is a free demo running on Hugging Face Spaces CPU. For larger ensembles or batch processing, install locally: pip install alphadynamics.

Links

• 📦 PyPI: https://pypi.org/project/alphadynamics/
• 🐙 GitHub: https://github.com/krisss0mecom/AlphaDynamics
• 🤗 Model: https://huggingface.co/krissss0/alphadynamics

By Krzysztof Gwozdz · Apache 2.0 · 🇵🇱