Installation

📥 Clone the repository

Stable version

git clone https://github.com/lolicato/OpenBuilder.git
cd OpenBuilder

Development version (specific branch)

git clone -b development https://github.com/lolicato/OpenBuilder.git
cd OpenBuilder

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🐍 Conda Environment

We recommend installing OpenBuilder using a Conda environment:

conda env create -f environment.yml
conda activate OpenBuilder # activate OpenBuilder-dev for development version

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🚀 Run OpenBuilder

GUI mode

streamlit run app.py

CLI mode

python app.py --no-gui outputs/OpenBuilder-xxxx/config.json

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📦 Notes

• coby is used for system generation
• MDAnalysis handles structure manipulation
• streamlit provides the GUI
• streamlit-molstar enables 3D visualization

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🔧 Optional (Documentation)

If you want to build the documentation locally:

pip install mkdocs mkdocs-material "mkdocstrings[python]"
mkdocs serve