@@ -14,14 +14,20 @@ This application helps researchers analyze GNPS (Global Natural Products Social
1414- ** Sankey Diagrams** - Flow visualization of metabolite classifications
1515- ** GNPS Integration** - Direct access via Task ID or file upload
1616
17+ ## 🌐 Live App
18+
19+ Access the app online at: ** https://gnpsrdd.streamlit.app/ **
20+
1721## Installation
1822
1923### Requirements
2024
2125- Python 3.11+
2226- pip
2327
24- ### Setup
28+ ## Local Development
29+
30+ To run the app locally:
2531
2632``` bash
2733# Clone the repository
@@ -34,11 +40,8 @@ source venv/bin/activate # On Windows: venv\Scripts\activate
3440
3541# Install dependencies
3642pip install -r requirements.txt
37- ```
38-
39- ## Running the App
4043
41- ``` bash
44+ # Run the app
4245streamlit run Home.py
4346```
4447
@@ -66,27 +69,6 @@ The app will open in your default browser at `http://localhost:8501`
6669- Visualize metabolite classification flows
6770- Track ontology hierarchies
6871
69- ## Project Structure
70-
71- ```
72- gnps_rdd_app/
73- ├── Home.py # Main entry point
74- ├── pages/ # Streamlit pages
75- │ ├── 01_Create_RDD_Count_Table.py
76- │ ├── 02_Visualizations.py
77- │ ├── 03_PCA_Analysis.py
78- │ ├── 04_Sankey_Diagram.py
79- │ └── 05_How_to_Use.py
80- ├── src/ # Core modules
81- │ ├── RDDcounts.py # RDD analysis class
82- │ ├── utils.py # Utility functions
83- │ ├── analysis.py # PCA and statistics
84- │ ├── visualization.py # Plotting functions
85- │ └── state_helpers.py # Session state management
86- ├── data/ # Demo data files
87- ├── tests/ # Test suite
88- └── requirements.txt # Python dependencies
89- ```
9072
9173## Testing
9274
@@ -104,7 +86,6 @@ make lint
10486make format
10587```
10688
107- See [ README_TESTING.md] ( README_TESTING.md ) for more details.
10889
10990## Development
11091
@@ -128,7 +109,7 @@ See [README_TESTING.md](README_TESTING.md) for more details.
128109
129110## License
130111
131- MIT License - see [ LICENSE ] ( LICENSE ) for details
112+ Apache license 2.0
132113
133114## Citation
134115
@@ -142,7 +123,3 @@ If you use this tool in your research, please cite:
142123
143124For questions or issues, please open a GitHub issue.
144125
145- ## Acknowledgments
146-
147- - GNPS team for the molecular networking platform
148- - Wang Bioinformatics Lab for the GNPSDataPackage
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