Clone the repository with git clone --recurse-submodules in order to also clone the submodules. Use git submodule update --init --recursive if you did not clone with submodule. Finally, use git submodule update to update the submodules.
Requires additional setup, follow the instructions in their README. Everything should be installed as a separate venv (i.e. .reinvnet_venv) with uv. In general, all command from the README should simply be preceeded by uv, i.e. uv pip install ....
Setup is already done with uv.
Using either conda or mamba, run mamba env create -f environment.yaml to create an environment.
Use mamba activate battery to activate it in the terminal.
Assuming you have uv installed, you can run uv sync --all-extras --build to install the environment.
2. pre-commit
Install pre-commit hooks: pre-commit install. From now on, it will run check automatically on git commit.
You can also run it manually with pre-commit run --all-files.
├── README.md <- The top-level README for developers using this project.
├── data
│ ├── processed <- The final, canonical data sets for modeling.
│ ├── symmetries <- The symmetry translation data.
│ ├── sampling <- Results of the sampling.
│ └── raw <- The original, immutable data dump.
│
├── docs <- A default mkdocs project; see www.mkdocs.org for details
│
├── models <- Trained and serialized models, model predictions, or model summaries
│
├── notebooks <- Jupyter notebooks. Naming convention is a number (for ordering),
│ the creator's initials, and a short `-` delimited description, e.g.
│ `1.0-jqp-initial-data-exploration`.
│
├── references <- Data dictionaries, manuals, and all other explanatory materials.
│
├── reports <- Generated analysis as HTML, PDF, LaTeX, etc.
│ └── figures <- Generated graphics and figures to be used in reporting
│
├── environment.yaml <- The requirements file for reproducing the analysis environment.
│
├── pre-commit.yaml <- Pre-commit hooks to run on commit. See https://pre-commit.com for details.
│
├── .pylintrc <- Custom configuration for pylint.
│
├── apps <- Source code for different modules.
│ ├── core <- Utility functions and classes.
│ ├── ... <- Specific module.
Roughly following cookiecuter template.