MADS/CADS Application (madsapp)

MADS/CADS is an integrated web-based visual platform for Materials/Catalysts Informatics. The platform helps material scientists design new materials with:

• Sharing of material data and analysis tools,
• Support for trial-and-error process of data analysis with user-friendly interactive visual interfaces.

Running

Requirements

• node.js 14.16.1
  • yarn 1.22.19
• Python 3.9
  • pip 22.3.1
  • pipenv 2022.11.30
  • django 3.2.15

Setup

• On project root, do the following:
• Create a copy of the following setting files from templates:
  • .env.example -> .env
  • madsapp/settings/local.py.example -> madsapp/settings/local.py

Install Dependencies

• Open a command line window and go to the project's directory.
• Python packaging and dependency management

  # Install python packages.
  pipenv install --dev
  

  If you have any problems, please confirm Python version, pip version and pipenv version.
  And don't forget to remove virtualenv before you retry "pipenv install --dev".

  pipenv --rm
  

• Install javascript packages by yarn.

  yarn --dev --frozen-lockfile
  

Running the project

• Open a command line window and go to the project's directory.

  yarn run start
  

• Open another command line window and go to the project's directory.

  # Activate python virtualenv.
  pipenv shell
  

• Create the migrations for users app with:

  python manage.py makemigrations
  

• Run the migrations:

  python manage.py migrate
  

• Run the server app:

  python manage.py runserver
  

docker-compose

A docker-compose setting example is included. You can make a copy of docker-compose.yml.example and nginx/nginx.conf.example, then edit them to fit your requirements.

Documentations

Visit https://cads.eng.hokudai.ac.jp/docs-static/ .

Contributing

Please see some guide line like https://opensource.guide/how-to-contribute/ .

You may follow blow procedure:

1. Fork the repository
2. Create a branch
3. Commit changes
4. Push the branch
5. Send a pull request

Publications

Jun Fujima, Yuzuru Tanaka, Itsuki Miyazato, Lauren Takahashi, Keisuke Takahashi ‘Catalyst Acquisition by Data Science (CADS): a web-based catalyst informatics platform for discovering catalysts’ React. Chem. Eng. (2020) 5 (5), 903-911. https://doi.org/10.1039/D0RE00098A

License

MIT License

Copyright (c) 2018-present MADS/CADS development team