File size: 6,290 Bytes
4a8b134 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 | #!/bin/bash
# ========================================================================
# Drug Repurposing AI System - Production Startup (Linux/Mac)
# ========================================================================
# This script installs all dependencies and starts the API server
set -e
# Color codes for output
RED='\033[0;31m'
GREEN='\033[0;32m'
YELLOW='\033[1;33m'
BLUE='\033[0;34m'
NC='\033[0m' # No Color
clear
echo -e "${BLUE}"
echo "========================================================================="
echo " 🧬 DRUG REPURPOSING AI SYSTEM"
echo " 🚀 Production API Startup (Linux/Mac)"
echo "========================================================================="
echo -e "${NC}"
echo ""
# Check if Python 3 is installed
if ! command -v python3 &> /dev/null; then
echo -e "${RED}ERROR: Python 3 is not installed${NC}"
echo "Please install Python 3.10+ from https://www.python.org/"
exit 1
fi
PYTHON_VERSION=$(python3 --version | awk '{print $2}')
echo "✅ Python $PYTHON_VERSION found"
echo ""
# Step 1: Create/Activate virtual environment
echo "[1/5] Setting up virtual environment..."
if [ -d "venv" ]; then
echo "✅ Virtual environment already exists"
else
echo "Creating new virtual environment..."
python3 -m venv venv
if [ $? -ne 0 ]; then
echo -e "${RED}ERROR: Failed to create virtual environment${NC}"
exit 1
fi
fi
source venv/bin/activate
if [ $? -ne 0 ]; then
echo -e "${RED}ERROR: Failed to activate virtual environment${NC}"
exit 1
fi
echo "✅ Virtual environment activated"
echo ""
# Step 2: Upgrade pip
echo "[2/5] Upgrading pip and setuptools..."
python -m pip install --upgrade pip setuptools wheel -q 2>/dev/null
if [ $? -eq 0 ]; then
echo "✅ pip upgraded"
else
echo "⚠️ pip upgrade had warnings (continuing...)"
fi
echo ""
# Step 3: Install base dependencies
echo "[3/5] Installing dependencies from requirements.txt..."
if [ ! -f "requirements.txt" ]; then
echo -e "${RED}ERROR: requirements.txt not found${NC}"
exit 1
fi
pip install -r requirements.txt -q 2>/dev/null
if [ $? -ne 0 ]; then
echo "⚠️ WARNING: Some dependencies failed to install"
echo "This may be normal if you're missing optional packages"
fi
echo "✅ Base dependencies installed"
echo ""
# Step 4: Install specialized packages (optional but recommended)
echo "[4/5] Installing specialized ML packages..."
echo " Installing DeepPurpose (AI predictor) from GitHub..."
pip install git+https://github.com/kexinhuang12345/DeepPurpose.git -q 2>/dev/null
if [ $? -eq 0 ]; then
echo " ✅ DeepPurpose installed"
else
echo " ⚠️ WARNING: DeepPurpose installation failed"
echo " The API will still run but use local mock predictions"
echo " To use real AI predictions, install manually:"
echo " pip install git+https://github.com/kexinhuang12345/DeepPurpose.git"
fi
echo " Installing TDC (drug data) from GitHub..."
pip install git+https://github.com/Alantic/TDC.git -q 2>/dev/null
if [ $? -eq 0 ]; then
echo " ✅ TDC installed"
else
echo " ℹ️ NOTE: TDC installation failed"
echo " API will use local fallback drug library (40+ FDA-approved drugs)"
fi
echo ""
# Step 5: Check for GPU
echo "[5/5] Checking system capabilities..."
if command -v nvidia-smi &> /dev/null; then
echo "✅ NVIDIA GPU detected - CUDA acceleration will be used"
else
echo "ℹ️ No NVIDIA GPU detected - running in CPU mode"
echo " (API will still work, predictions may be slower)"
fi
echo ""
# Display startup info
echo -e "${GREEN}=========================================================================${NC}"
echo -e "${GREEN}✅ SETUP COMPLETE - STARTING API SERVER${NC}"
echo -e "${GREEN}=========================================================================${NC}"
echo ""
echo "🌐 API DOCUMENTATION & ENDPOINTS:"
echo " • Interactive Swagger Docs: http://localhost:8000/docs"
echo " • Alternative ReDoc Docs: http://localhost:8000/redoc"
echo " • OpenAPI Schema: http://localhost:8000/openapi.json"
echo ""
echo "📊 MONITORING ENDPOINTS:"
echo " • Health Check: http://localhost:8000/health"
echo " • Model Status: http://localhost:8000/api/v1/model-status"
echo ""
echo "🧬 MAIN SCREENING ENDPOINT (POST):"
echo " • Virtual Screening: http://localhost:8000/api/v1/screen"
echo " Example request body:"
echo " {"
echo " \"disease_name\": \"Type 2 Diabetes\","
echo " \"min_score\": 0.5,"
echo " \"top_n_targets\": 10,"
echo " \"known_drugs\": [\"Metformin\"]"
echo " }"
echo ""
echo "📋 ADDITIONAL ENDPOINTS (POST):"
echo " • Get Disease Targets: http://localhost:8000/api/v1/disease-targets"
echo " • Get Protein Sequences: http://localhost:8000/api/v1/protein-sequences"
echo " • Get Drug Library: http://localhost:8000/api/v1/drug-library"
echo ""
echo "⏹️ Press CTRL+C to stop the server"
echo -e "${GREEN}=========================================================================${NC}"
echo ""
# Start the API server
python -m uvicorn app.main:app --host 0.0.0.0 --port 8000 --reload
echo ""
}
echo "[4.75/5] Checking GPU availability..."
python -c "import torch; print(f'GPU Available: {torch.cuda.is_available()}')" 2>/dev/null || {
echo "GPU detection skipped (continue with CPU-only mode)"
}
echo ""
echo "[5/5] Starting API server..."
echo ""
echo "=============================================="
echo "✅ Setup Complete! Starting API server..."
echo "=============================================="
echo ""
echo "API Endpoints:"
echo " Documentation: http://localhost:8000/docs"
echo " Health Check: http://localhost:8000/health"
echo " Model Status: http://localhost:8000/api/v1/model-status"
echo " Virtual Screen: http://localhost:8000/api/v1/screen"
echo ""
echo "Running Mode:"
echo " If DeepPurpose installed: PRODUCTION (Real AI predictions)"
echo " If DeepPurpose failed: MOCK (Simulated predictions)"
echo ""
echo "Check http://localhost:8000/api/v1/model-status for actual mode"
echo ""
echo "Press Ctrl+C to stop the server"
echo ""
uvicorn app.main:app --reload --host 0.0.0.0 --port 8000
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