The aiida-mlip plugin for AiiDA

aiida-mlip is available at http://github.com/aiidateam/aiida-mlip

• User guide
  • Getting started
  • Tutorial
  • Data types
  • Calculations
  • Training machine learning models
• Developer guide
  • Running the tests
  • Automatic coding style checks
  • Continuous integration
  • Building the documentation
  • Publishing the documentation
  • PyPI release
• API documentation
  • Subpackages
  • Module contents
• AiiDA Documentation

If you use this plugin for your research, please cite the following work:

Author Name1, Author Name2, Paper title, Jornal Name XXX, YYYY (Year).

If you use AiiDA for your research, please cite the following work:

Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari, and Boris Kozinsky, AiiDA: automated interactive infrastructure and database for computational science, Comp. Mat. Sci 111, 218-230 (2016); https://doi.org/10.1016/j.commatsci.2015.09.013; http://www.aiida.net.

aiida-mlip is released under the BSD 3-Clause license.

Funding

Contributors to aiida-mlip were supported by

Indices and tables

• Index

• Module Index

• Search Page