metadata
title: PETIMOT Explorer
emoji: 🧬
colorFrom: indigo
colorTo: purple
sdk: docker
pinned: true
license: gpl-3.0
tags:
- protein
- motion
- GNN
- bioinformatics
- structural-biology
short_description: Explore SE(3)-equivariant protein motion predictions
🧬 PETIMOT Explorer
Protein Motion Inference from Sparse Data
Interactive explorer for protein motion predictions using SE(3)-equivariant Graph Neural Networks.
Features
- 🔍 Explorer — Browse pre-computed predictions for ~36K proteins
- 🔮 Inference — Predict motion for any protein (PDB ID or upload)
- 📊 Statistics — Dataset-wide analysis and distributions
- 🎨 3D Viewer — Interactive motion visualization with displacement arrows
- 🧬 Sequence View — Per-residue displacement heatmap with coverage overlay
Paper
Lombard, Grudinin & Laine — PETIMOT: SE(3)-Equivariant GNNs for Protein Motion Prediction arXiv 2504.02839
Usage
git clone https://github.com/PhyloSofS-Team/PETIMOT
cd PETIMOT
pip install -r app/requirements.txt
streamlit run app/app.py