---
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 -->