Tools for machine learnt interatomic potentials
Project description
janus-core
Tools for machine learnt interatomic potentials
Development
- Install poetry
- (Optional) Create a virtual environment
- 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
Funding
Contributors to this project were funded by
Project details
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