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---
title: BroteinShake BioHub
emoji: 🥤
colorFrom: green
colorTo: gray
sdk: docker
app_port: 7860
pinned: false
---
# BroteinShake
AI-Driven Structural Mimicry & BBB-Shuttle Design
A Gradio application for protein redesign using ProteinMPNN and structural refinement with OpenMM.
## Features
1. **Sequence Generation**: Download PDB structures and generate optimized sequences using ProteinMPNN
2. **Structural Refinement**: Refine ESM-folded structures with alignment and clash resolution
## Usage
1. Enter a PDB ID (e.g., 3kas)
2. Specify fixed chains (to keep unchanged) and variable chains (to redesign)
3. Generate sequences and fold the best design on ESM Atlas
4. Upload the folded structure for refinement
## Requirements
- Python 3.10
- Conda environment with OpenMM and PDBFixer
- ProteinMPNN (cloned automatically)
## Installation
The space uses conda environment specified in `environment.yml`.
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