Cheminformatics Data Analysis with Streamlit

This project provides an interface for cheminformatics data analysis using Streamlit. It allows users to filter and analyze molecular data based on properties such as LogP, molecular weight, rule violations, and more. The app interacts with a database created from a CSV file and allows users to run SQL queries and view analysis results.

Project Structure

cheminformatics-analysis/
│
├── app.py                # Main Streamlit application
├── sql_functions/        # Contains SQL functions for database interaction
│   ├── __init__.py       # Optional (if you plan to extend the functionality)
│   ├── sql_functions.py  # SQL query functions for interacting with the database
│   └── database.csv      # Raw CSV data used to create the database
│
├── requirements.txt      # Python dependencies
└── README.md             # Documentation


This project uses Streamlit to analyse cheminformatics data from a SQLite database. It allows users to filter molecule data based on various properties and perform basic analysis.

## Setup

1. Clone the repository:

    ```bash
    git clone https://github.com/nar-n/SQL-Query-Analysis-for-Cheminformatics.git
    cd SQL-Query-Analysis-for-Cheminformatics
    ```

2. Install dependencies:

    ```bash
    pip install -r requirements.txt
    ```

3. Run the Streamlit app:

    ```bash
    streamlit run src/main.py
    ```