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Tools for machine learnt interatomic potentials

Project description

Build Status Coverage Status Docs status PyPI version License DOI

janus-core

Tools for machine learnt interatomic potentials

Development

  1. Install poetry
  2. (Optional) Create a virtual environment
  3. Install janus-core with dependencies:
git clone https://github.com/stfc/janus-core
cd janus-core
pip install --upgrade pip
poetry install --with pre-commit,dev,docs  # install extra dependencies
pre-commit install  # install pre-commit hooks
pytest -v  # discover and run all tests

License

BSD 3-Clause License

Funding

Contributors to this project were funded by

PSDI ALC CoSeC

Project details


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