| 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](https://arxiv.org/abs/2504.02839) | |
| ## Usage | |
| ```bash | |
| git clone https://github.com/PhyloSofS-Team/PETIMOT | |
| cd PETIMOT | |
| pip install -r app/requirements.txt | |
| streamlit run app/app.py | |
| ``` | |
| <!-- deploy: 2026-03-27 13:51 UTC --> | |