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Added first version of website.
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‎.github/workflows/render-and-publish.yml‎

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on:
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push:
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branches: main
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name: Render and Publish
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jobs:
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build-deploy:
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runs-on: ubuntu-latest
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steps:
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- name: Check out repository
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uses: actions/checkout@v2
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- name: Set up R (needed for Rmd)
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uses: r-lib/actions/setup-r@v2
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- name: Install packages (needed for Rmd)
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run: Rscript -e 'install.packages(c("rmarkdown", "knitr", "jsonlite"))'
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- name: Set up Quarto
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uses: quarto-dev/quarto-actions/setup@v2
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with:
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# To install LaTeX to build PDF book
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tinytex: true
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# uncomment below and fill to pin a version
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# version: 0.9.600
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# add software dependencies here
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- name: Publish to GitHub Pages (and render)
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uses: quarto-dev/quarto-actions/publish@v2
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with:
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target: gh-pages
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env:
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GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} # this secret is always available for github actions

‎.gitignore‎

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# Byte-compiled / optimized / DLL files
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__pycache__/
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*.py[cod]
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*$py.class
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# C extensions
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*.so
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# Distribution / packaging
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.Python
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build/
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develop-eggs/
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dist/
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downloads/
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eggs/
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.eggs/
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lib/
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lib64/
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parts/
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sdist/
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var/
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wheels/
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share/python-wheels/
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*.egg-info/
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.installed.cfg
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*.egg
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MANIFEST
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# PyInstaller
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# Usually these files are written by a python script from a template
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# before PyInstaller builds the exe, so as to inject date/other infos into it.
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*.manifest
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*.spec
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# Installer logs
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pip-log.txt
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pip-delete-this-directory.txt
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# Unit test / coverage reports
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htmlcov/
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.tox/
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.nox/
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.coverage
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.coverage.*
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.cache
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nosetests.xml
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coverage.xml
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*.cover
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*.py,cover
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.hypothesis/
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.pytest_cache/
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cover/
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# Translations
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*.mo
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*.pot
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# Django stuff:
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*.log
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local_settings.py
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db.sqlite3
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db.sqlite3-journal
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# Flask stuff:
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instance/
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.webassets-cache
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# Scrapy stuff:
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.scrapy
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# Sphinx documentation
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docs/_build/
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# PyBuilder
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.pybuilder/
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target/
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# Jupyter Notebook
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.ipynb_checkpoints
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# IPython
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profile_default/
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ipython_config.py
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# pyenv
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# For a library or package, you might want to ignore these files since the code is
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# intended to run in multiple environments; otherwise, check them in:
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# .python-version
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# pipenv
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# According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control.
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# However, in case of collaboration, if having platform-specific dependencies or dependencies
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# having no cross-platform support, pipenv may install dependencies that don't work, or not
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# install all needed dependencies.
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#Pipfile.lock
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# UV
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# Similar to Pipfile.lock, it is generally recommended to include uv.lock in version control.
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# This is especially recommended for binary packages to ensure reproducibility, and is more
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# commonly ignored for libraries.
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#uv.lock
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# poetry
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# Similar to Pipfile.lock, it is generally recommended to include poetry.lock in version control.
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# This is especially recommended for binary packages to ensure reproducibility, and is more
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# commonly ignored for libraries.
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# https://python-poetry.org/docs/basic-usage/#commit-your-poetrylock-file-to-version-control
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#poetry.lock
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# pdm
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# Similar to Pipfile.lock, it is generally recommended to include pdm.lock in version control.
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#pdm.lock
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# pdm stores project-wide configurations in .pdm.toml, but it is recommended to not include it
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# in version control.
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# https://pdm.fming.dev/latest/usage/project/#working-with-version-control
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.pdm.toml
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.pdm-python
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.pdm-build/
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# PEP 582; used by e.g. github.com/David-OConnor/pyflow and github.com/pdm-project/pdm
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__pypackages__/
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# Celery stuff
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celerybeat-schedule
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celerybeat.pid
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# SageMath parsed files
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*.sage.py
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# Environments
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.env
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.venv
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env/
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venv/
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ENV/
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env.bak/
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venv.bak/
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# Spyder project settings
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.spyderproject
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.spyproject
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# Rope project settings
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.ropeproject
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# mkdocs documentation
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/site
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# mypy
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.mypy_cache/
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.dmypy.json
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dmypy.json
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# Pyre type checker
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.pyre/
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# pytype static type analyzer
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.pytype/
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# Cython debug symbols
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cython_debug/
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# PyCharm
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# JetBrains specific template is maintained in a separate JetBrains.gitignore that can
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# be found at https://github.com/github/gitignore/blob/main/Global/JetBrains.gitignore
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# and can be added to the global gitignore or merged into this file. For a more nuclear
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# option (not recommended) you can uncomment the following to ignore the entire idea folder.
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#.idea/
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# PyPI configuration file
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.pypirc
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.Rproj.user
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.Rhistory
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.RData
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.Ruserdata
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.idea
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*.Rproj
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.DS_Store
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/.quarto/
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/_site/

‎.nojekyll‎

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‎CNAME‎

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ml4msd.d2r2group.com

‎README.md‎

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# ml4msd
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Machine Learning for Materials Science and Discovery Course Website
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# ML4MSD -- Machine Learning for Materials Science and Discovery
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This is the website for the course ML4MSD, Machine Learning for Materials Science and Discovery
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taught by Asst. Prof. Peter Schindler.
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Website was based on this [template](https://nmfs-opensci.github.io/NOAA-quarto-simple/).

‎_quarto.yml‎

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project:
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type: website
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date: last-modified
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website:
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page-navigation: true
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title: "ML4MSD -- Machine Learning for Materials Science and Discovery"
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site-url: "https://ml4msd.d2r2group.com"
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repo-url: "https://github.com/d2r2group/ML4MSD"
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repo-actions: [issue]
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google-analytics: "G-C2P3YYMPET"
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favicon: images/favicon.ico
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page-footer:
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right: "*Last Update:* {{< meta date >}}"
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left: "&copy; Peter Schindler"
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sidebar:
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background: "#B6B8F0"
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logo: images/ML4MSD_logo.png
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favicon: images/favicon.ico
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pinned: true
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align: center
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tools:
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- icon: globe
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href: https://www.d2r2group.com
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text: "d2r2group.com"
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- icon: github
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href: https://github.com/d2r2group/ML4MSD
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text: "GitHub Repository"
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style: "docked"
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search: true
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collapse-level: 1
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contents:
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- href: content/info.qmd
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text: Information
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- href: content/syllabus.qmd
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text: Outline
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- href: content/grading.qmd
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text: Grading
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- href: content/final_project.qmd
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text: Projects
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- href: content/other.qmd
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text: Guidelines
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format:
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html:
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theme:
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dark: [cosmo, theme-dark.scss]
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light: [cosmo, theme.scss]
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template-partials:
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- title-block.html
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code-copy: true
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code-overflow: wrap
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toc: true
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link-external-newwindow: true
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filters:
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- quarto
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‎content/final_project.qmd‎

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---
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title: Projects
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---
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## Topics
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The topic selection takes place on a Google Sheet (link will be provided later) in which you can select
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from a list of topics or come up with your own topic.\
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Ideally, there will be 1 topic per student.
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## Deliverables
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Details will be added here soon.
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## Timeline
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Details will be added soon.
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## Evaluation
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Details will be added soon.

‎content/grading.qmd‎

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---
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title: Grading
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---
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## Final Grade Breakdown
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| Percentage of Final Grade | Individual Grade Contribution |
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| :----- | :----- |
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| 5 | In-class participation |
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| 10 | Homework Assignments |
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| 30 | Paper presentation |
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| 25 | Group project |
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| 30 | Final project (individual) |
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::: {.callout-important title="Late Homework Policy"}
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All assignments will be accepted up to 2 calendar days late (cutoff 11:59 pm).
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- Assignments turned in one day late will be penalized by 10%.
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- Assignments turned in two days late will be penalized by 20%.
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- After two calendar days, assignments will not be accepted, and you will receive a 0 on the assignment.
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:::
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## Final Percentage Score to Letter Grade Conversion
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| Final percentage Score | Letter grade | 4.0 Scale |
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| :----- | :----- | :----- |
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| 93-100 | A | 4.0 |
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| 90-92 | A- | 3.7 |
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| 87-89 | B+ | 3.3 |
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| 83-86 | B | 3.0 |
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| 80-82 | B- | 2.7 |
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| 77-79 | C+ | 2.3 |
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| 73-76 | C | 2.0 |
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| 70-72 | C- | 1.7 |
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| <70 | F | 0.0 |

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