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@echo off
REM Docking@HOME Quick Start Script for Windows
REM Authors: OpenPeer AI, Riemann Computing Inc., Bleunomics, Andrew Magdy Kamal
echo.
echo ========================================================================
echo Docking@HOME v1.0
echo Molecular Docking Platform
echo ========================================================================
echo.
REM Check if Python is installed
python --version >nul 2>&1
if errorlevel 1 (
echo [ERROR] Python is not installed or not in PATH
echo Please install Python 3.8+ from: https://www.python.org/downloads/
pause
exit /b 1
)
echo [OK] Python found
echo.
REM Check if virtual environment exists
if not exist "venv" (
echo Creating virtual environment...
python -m venv venv
echo [OK] Virtual environment created
echo.
)
REM Activate virtual environment
call venv\Scripts\activate.bat
REM Check if requirements are installed
python -c "import fastapi" >nul 2>&1
if errorlevel 1 (
echo Installing dependencies...
echo This may take a few minutes...
echo.
pip install -r requirements.txt
echo.
echo [OK] Dependencies installed
echo.
)
echo [OK] All dependencies ready
echo.
REM Start the server
echo Starting Docking@HOME Server...
echo.
echo The GUI will open in your browser automatically
echo Press Ctrl+C to stop the server
echo.
echo ========================================================================
echo.
python start.py --host localhost --port 8080
pause
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