A powerful tool for visualizing and analyzing reaction networks from computational chemistry data

ReacNet Analyzer Pro is a comprehensive software solution designed for computational chemists and researchers to visualize, analyze, and interpret complex reaction networks. Built with modern GUI frameworks and equipped with advanced molecular rendering capabilities, it transforms raw reaction data into interactive, publication-ready visualizations.

• 🔬 Advanced Molecular Visualization: High-quality 3D and 2D molecular structure rendering
• 🌐 Interactive Network Analysis: Dynamic reaction pathway visualization with energy profiles
• 📊 Multiple Export Formats: Publication-ready PNG and SVG outputs
• 🔐 Secure Data Handling: Encrypted file processing with authentication
• 🎨 Modern Interface: Intuitive drag-and-drop GUI with real-time progress tracking
• ⚡ High Performance: Optimized for large-scale reaction networks

1. Download: Get ReacNetAnalyzer_Pro.exe (~500MB)
2. Launch: Double-click the executable
3. Authenticate: Enter password: github.com/PhelanShao/reaction_network
4. Start Analysis: Load your .reacnet file and begin!

# Clone or download the source code
cd reacnet_analyzer
python modern_secure_gui_english.py

Dependencies Required:

pip install numpy scipy matplotlib networkx rdkit-pypi pillow cryptography

• Launch the application
• Enter the required password (github.com/PhelanShao/reaction_network) when prompted
• Review citation requirements

• Browse: Use the "Browse Files" button to select your input file(*.reacnet)

• Supported Formats: .reacnet encrypted reaction network files

• 

1. Click "Start Processing"
2. Monitor progress in real-time
3. View detailed status updates
4. Wait for completion notification

• Interactive HTML: Browse the generated reaction network
• Molecular Images: High-quality 3D/2D structure visualizations
• Energy Profiles: MEP analysis and pathway energetics
• Network Data: Topology and connectivity information

Primary Input:

• .reacnet - Encrypted reaction network files containing:
  • Molecular coordinates (XYZ format)
  • Reaction connectivity data
  • Energy information
  • Metadata and parameters

Auxiliary Data:

• orca_MEP.xyz - ORCA minimum energy path trajectories
• Individual .xyz files - Molecular coordinate files

output_directory/
├── reaction_network.html          # Interactive visualization
├── molecule_images/               # Individual structure images
│   ├── node_001_3d.svg          # 3D molecular structures
│   └── node_002_2d.png          # 2D chemical diagrams
├── energy_profiles/              # MEP analysis
└── network_data.json            # Raw network topology

• OS: Windows 10 (64-bit)
• RAM: 4GB
• Storage: 1GB free space
• Graphics: OpenGL 2.0 support

• OS: Windows 11 (64-bit)
• RAM: 8GB or more
• Storage: SSD with 2GB+ free space
• Graphics: Dedicated GPU with 1GB VRAM
• CPU: Multi-core processor (Intel i5/AMD Ryzen 5 or better)

When using ReacNet Analyzer in your research, please cite:

@article{ReacNetAnalyzer2024,
  title={ReacNet Analyzer: Advanced Reaction Network Visualization Tool},
  author={[Author Names]},
  journal={[Journal Name]},
  year={2024},
  volume={[Volume]},
  pages={[Pages]},
  doi={[DOI]}
}

For the latest updates and downloads, visit: Project Repository