DockingAtHOME/START_WINDOWS.bat at main · OpenPeer-AI/DockingAtHOME · GitHub

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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