Installation Guide

Quick setup for DeepRetro.

Prerequisites

Option 1: Docker (Recommended) * Docker and Docker Compose * Git

Option 2: Local Development * Python 3.9+ * Conda/Miniconda * Git

System Requirements

• OS: Windows 10+, macOS 10.14+, Ubuntu 18.04+

• Memory: 16GB recommended

• Storage: 5GB free space

Installation Steps

Option 1: Docker Installation (Recommended)

1. Clone repository:

   git clone <repository-url>
   cd recursiveLLM
   

2. Set up environment:

   cp env.example .env
   # Edit .env with your API keys
   

3. Start the service:

   docker-compose up -d
   

4. Verify installation:

   curl -H "X-API-KEY: your-api-key" http://localhost:5000/api/health
   

Option 2: Local Development Installation

1. Clone repository:

   git clone <repository-url>
   cd DeepRetro
   

2. Create environment:

   conda env create -f environment.yml
   conda activate deepretro
   

3. Download models:

   mkdir -p aizynthfinder/models
   python -c "from aizynthfinder.utils.download_public_data import download_public_data; download_public_data('aizynthfinder/models/')"
   

4. Configure API keys:

   Create .env file:

   API_KEY=your-backend-key
   ANTHROPIC_API_KEY=your-anthropic-key  # For Claude
   FIREWORKS_API_KEY=your-fireworks-key  # For DeepSeek
   

5. Verify installation:

   python -c "import src.api; print('Installation successful!')"
   

Configuration

Model Configuration

LLM Model	Identifier
Claude 3 Opus	claude3
Claude 3.7 Sonnet	claude37
Claude 4 Sonnet	claude4
DeepSeek-R1	deepseek

AiZynthFinder Model	Description
USPTO	Standard database (free, default, downloaded automatically in Docker)
Pistachio_25	25% Pistachio database (licensed)
Pistachio_50	50% Pistachio database (licensed)
Pistachio_100	100% Pistachio database (licensed)
Pistachio_100+	Enhanced Pistachio coverage (licensed)

Getting Help

• Check existing GitHub issues

• Create new issue with error details

• Review User Guide for troubleshooting