Workflow Management System

A comprehensive scientific laboratory workflow management platform designed for automated electrochemical and catalyst research. This system provides visual workflow design, device control, and experiment execution capabilities for Self-Driving Laboratory (SDL) environments.

Features

Visual Workflow Designer

• Drag-and-drop interface for creating laboratory workflows
• Node-based editor with ReactFlow for connecting operations
• Pre-built operation nodes for common lab equipment and procedures
• Custom Unit Operation (UO) builder for creating reusable components
• Conditional logic and branching for complex experimental flows

Laboratory Equipment Integration

• SDL Catalyst operations for electrochemical experiments (CV, LSV, OCV, PEIS)
• Medusa platform controls (pumps, valves, hotplates, balances, sensors)
• OT2 robotic arm integration for liquid handling
• Generic device abstraction layer for extensibility

Workflow Execution

• Multi-language execution (Python for science, Rust for hardware control)
• Real-time monitoring via WebSocket connections
• Remote execution capability for distributed laboratory systems
• Simulation mode for testing workflows before execution

Parameter Management

• Dynamic parameter configuration with validation
• Optimization suggestions and parameter linkage
• Environmental adjustment services
• File upload/download for experimental data

Technology Stack

Frontend

• React 18 with TypeScript
• ReactFlow for workflow visualization
• Material-UI (MUI) for UI components
• Vite for build tooling

Backend

• Python FastAPI for workflow execution API
• Rust for device executors and hardware control
• Node.js/Express for file management services
• PostgreSQL with Prisma ORM
• WebSocket for real-time communication

Quick Start

Prerequisites

• Node.js 18+
• Python 3.8+
• Rust 1.70+
• PostgreSQL 14+

Installation

1. Clone the repository

   git clone https://github.com/SissiFeng/workflow-management.git
   cd workflow-management

2. Install frontend dependencies

   npm install

3. Install backend dependencies

   cd backend
   pip install -r requirements.txt

4. Build Rust components

   cd device_executor
   cargo build --release

5. Setup database

   cd server
   npx prisma migrate dev

Development

1. Start the frontend development server

   npm run dev

2. Start the backend services

   cd backend
   python main.py

3. Start the file server

   cd server
   npm run dev

Build for Production

npm run build

Project Structure

workflow-management/
├── src/                          # Frontend React application
│   ├── components/               # UI components
│   │   ├── OperationNodes/      # Workflow node components
│   │   ├── Canvas/              # Workflow canvas
│   │   └── UOBuilder/           # Custom UO builder
│   ├── services/                # Frontend services
│   └── types/                   # TypeScript type definitions
├── backend/                     # Python backend services
│   ├── api/                     # FastAPI endpoints
│   ├── executors/              # Workflow execution engines
│   ├── sdl_catalyst/           # SDL Catalyst primitives
│   └── device_executor/        # Rust device controllers
├── server/                      # Node.js file server
├── config/                      # Configuration files
├── documentation/               # Project documentation
├── deployment/                  # Deployment configurations
└── tests/                       # Test files

Key Components

Workflow Nodes

• SDL Catalyst Nodes: CV, LSV, OCV, PEIS for electrochemical measurements
• Medusa Control Nodes: Device-specific controls for laboratory equipment
• File Nodes: Data upload/download and file management
• Conditional Nodes: Logic and branching for complex workflows

Device Integration

• CVA (Cyclic Voltammetry Analyzer): Automated electrochemical measurements
• Pump Control: Precise fluid handling and dispensing
• Valve Control: Multi-port switching for fluid routing
• Balance Control: Automated weighing and material handling
• Sensor Monitoring: Real-time data acquisition

Custom UO Builder

• Visual component library for creating custom operations
• Parameter type system (number, string, boolean, file, select)
• Drag-and-drop interface for UO construction
• Auto-registration in the workflow sidebar

API Documentation

The system provides RESTful APIs for:

• Workflow management and execution
• Device control and monitoring
• File upload/download operations
• Custom UO registration

API documentation is available at /api/docs when running the backend server.

Contributing

1. Fork the repository
2. Create a feature branch (git checkout -b feature/amazing-feature)
3. Commit your changes (git commit -m 'Add amazing feature')
4. Push to the branch (git push origin feature/amazing-feature)
5. Open a Pull Request

Development Guidelines

• Follow TypeScript/ESLint conventions for frontend code
• Use Python type hints and follow PEP 8 for backend code
• Write tests for new features
• Update documentation for API changes

Testing

# Frontend tests
npm test

# Backend tests
cd backend
pytest

# Device executor tests
cd backend/device_executor
cargo test

Deployment

The system supports deployment to:

• Vercel for frontend hosting
• Docker containers for backend services
• Cloud platforms (AWS, GCP, Azure) via Terraform configurations

See the deployment/ directory for specific deployment guides.

Documentation

Comprehensive documentation is available in the documentation/ directory:

• API Guide: REST API usage and examples
• Node Development: Creating custom workflow nodes
• Device Integration: Adding new laboratory equipment
• Architecture Overview: System design and components

License

This project is licensed under the MIT License - see the LICENSE file for details.

Support

For questions, issues, or contributions:

• Create an issue on GitHub
• Check the documentation directory
• Review existing discussions and PRs

Acknowledgments

• Built for Self-Driving Laboratory (SDL) research environments
• Supports electrochemical and catalyst research workflows
• Designed for automated laboratory operations and data collection