SIMPSON GUI

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Overview

The SIMPSON GUI project provides a streamlined Graphical User Interface (GUI), created using Streamlit, to simplify the creation of SIMPSON files for NMR simulations. By using this interface, you can generate SIMPSON input files.

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Installation and Usage

Prerequisites

1. Install Streamlit.
2. Clone the repository to your local machine:

   git clone https://github.com/dnp-grenoble/simpson_gui.git

3. Install dependencies:

   pip install -r requirements.txt

Running the Application

1. Navigate to the project directory.
2. Launch the application using Streamlit:

   streamlit run Homepage.py

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Features

• User-friendly interface to configure and generate SIMPSON files.
• Integrated utilities for handling xyz files and dipolar couplings.
• Customizable settings for execution methods and propagation techniques.
• Helpful tools to configure optimal verbosity levels for simulations.

For additional details, please refer to the functionality described in Homepage.py. More pulse sequences will be added in due course.

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Contribution

Contributions are welcome! Please feel free to submit issues or pull requests to enhance the project.

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License

This project is licensed under the MIT License. See the LICENSE file for details.

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Support

For further help, please open an issue in the repository or consult the documentation linked within the app.