SCAKS-Hub

A flask-powered web app for chemical kinetics analysis (using SCAKS as computing core)

Install and run SCAKS-Hub example locally

Clone the repository:

git clone --recursive [email protected]:PytLab/scaks-hub.git

Install requirements

pip install -r requirements.txt

Run the scaks-hub:

cd scaks-hub/example
../scaks-hub runserver

Your browser will open automatically, if not, open your browser and visit http://localhost:5000

Code Structure

├── LICENSE                  # License file
├── README.rst               # This file
├── app                      # SCAKS main package
│   ├── __init__.py
│   ├── main                 # Flask Web application
│   │   ├── __init__.py
│   │   ├── errors.py        # Request error handlers
│   │   ├── files.py         # Request handlers for file system
│   │   ├── job.py           # View functions for solving microkinetic model job
│   │   ├── model.py         # View functions for microkinetic model building
│   │   ├── report.py        # View functions for report display
│   │   └── utils.py         # Utility functions
│   ├── static               # Static files
│   │   ├── css              # Style sheet files
│   │   ├── fonts            # Font files
│   │   ├── img              # Icon and images in SCAKS-Hub
│   │   └── js               # Javascript files in frontend pages
│   └── templates            # HTML component template
│       ├── 404.html
│       ├── base.html
│       ├── files
│       ├── job
│       ├── model
│       ├── nav
│       └── report
├── config.py                # Flask configure file
├── example                  # Example jobs for demo run
│   ├── README.txt
│   ├── empty_job
│   └── example_job
│       ├── model.py
│       ├── rel_energy.py
│       └── rxns.py
├── requirements.txt         # Dependencies
├── scaks-hub                # SCAKS-Hub entry script
├── screenshot.png
├── supervisor.conf          # supervisor configure file
├── tests                    # Tests
│   ├── __init__.py
│   └── test_app.py
└── wsgi.py