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 git@github.com: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