A descent project structure for doing and sharing science work in Computational Biophysics.
├── Makefile <- Makefile with commands like `make data` or `make train`
├── README.md <- The top-level README for developers using this project.
├── config.yaml <- A configuration file for the scripts.
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├── data
│ ├── external <- Data from third party sources.
│ ├── interim <- Intermediate data that has been transformed.
│ ├── processed <- The final, canonical data sets for modeling.
│ └── raw <- The original, immutable data dump.
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├── docs <- A default Sphinx project; see sphinx-doc.org for details
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├── ccenv.yml <- A Conda environmet file.
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├── misc
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├── 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`.
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├── output
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├── pdb
│ ├── processed
│ └── raw
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├── references <- Data dictionaries, manuals, and all other explanatory materials.
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├── reports <- Generated analysis as HTML, PDF, LaTeX, etc.
│ └── figures <- Generated graphics and figures to be used in reporting
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├── src
│ ├── data <- Scripts to download or generate data
│ │ ├── make_dataset.py
│ │ └── make_pdb.py
│ └── visualization <- Scripts to create exploratory and results oriented visualizations
│ └── visualize.py
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├── tmp <- for temporary files
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├── tox.ini <- tox file with settings for running tox; see tox.readthedocs.io
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└── .env <- Stores environment variables for Dotenv module. Do not track with version control.
Project based on the cookiecutter data science project template. #cookiecutterdatascience