├── .github └── workflows │ └── build.yaml ├── .gitignore ├── .mailmap ├── .update-copyright.conf ├── AUTHORS ├── CITATION ├── CITATION.cff ├── CONDUCT.md ├── CONTRIBUTING.md ├── LICENSE.md ├── README.md ├── _episodes ├── .gitkeep ├── 00-code-organization-documentation.rst ├── 00-command-line-basics.md ├── 00-git-and-github.rst ├── 00-git-standalone.md ├── 00-github-standalone.md ├── 00-setup.rst ├── 00-testing-continuous-integration.rst ├── 01-package-setup.md ├── 02-git.md ├── 03-github.md ├── 04-function-style.md ├── 05-package-structure.md ├── 06-type-hinting.md ├── 07-collaboration.md ├── 08-testing.md ├── 09-CI.md ├── 10-distribution.md ├── 10-documentation.md ├── Makefile ├── _static │ ├── css │ │ └── custom.css │ ├── html │ │ └── 404.html │ ├── molssi_main_logo.png │ ├── molssi_main_logo_inverted_white.png │ ├── molssi_square.png │ └── nsf.png ├── _templates │ └── molssi_footer.html ├── conf.py ├── convert.ipynb ├── convert.py ├── csv_tables │ ├── ci_testing.csv │ ├── documentation.csv │ ├── git_and_github.csv │ └── setup.csv ├── index.rst ├── lexerpatch.py ├── out.txt ├── requirements.yaml └── setup.md ├── aio.md ├── bin ├── boilerplate │ ├── .travis.yml │ ├── AUTHORS │ ├── CITATION │ ├── CONTRIBUTING.md │ ├── README.md │ ├── _config.yml │ ├── _episodes │ │ └── 01-introduction.md │ ├── _extras │ │ ├── about.md │ │ ├── discuss.md │ │ ├── figures.md │ │ └── guide.md │ ├── aio.md │ ├── index.md │ ├── reference.md │ └── setup.md ├── chunk-options.R ├── generate_md_episodes.R ├── knit_lessons.sh ├── lesson_check.py ├── lesson_initialize.py ├── markdown_ast.rb ├── repo_check.py ├── test_lesson_check.py ├── util.py └── workshop_check.py ├── code └── .gitkeep ├── data ├── .gitkeep └── starting_material.zip ├── fig ├── .gitkeep ├── 08_CI │ ├── codecov_screenshot.png │ ├── github_travis_auth.png │ ├── marketplace_ci.png │ ├── pytestcov_reporthtml.png │ └── travis_triggermanual.png ├── github_workflows │ ├── accepted_PR.svg │ ├── branch_development.svg │ ├── final.svg │ ├── git_branch.svg │ ├── git_history_0.svg │ ├── github.svg │ ├── github_clone_fork.svg │ ├── github_fork.svg │ ├── github_remotes.svg │ └── push_branch.svg └── setup │ ├── vscode-button1.png │ └── vscode-button2.png ├── files └── .gitkeep ├── index.md ├── reference.md ├── requirements.yaml └── starting_material.zip /.github/workflows/build.yaml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/.github/workflows/build.yaml -------------------------------------------------------------------------------- /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/.gitignore -------------------------------------------------------------------------------- /.mailmap: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/.mailmap -------------------------------------------------------------------------------- /.update-copyright.conf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/.update-copyright.conf -------------------------------------------------------------------------------- /AUTHORS: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/AUTHORS -------------------------------------------------------------------------------- /CITATION: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/CITATION -------------------------------------------------------------------------------- /CITATION.cff: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/CITATION.cff -------------------------------------------------------------------------------- /CONDUCT.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/CONDUCT.md -------------------------------------------------------------------------------- /CONTRIBUTING.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/CONTRIBUTING.md -------------------------------------------------------------------------------- /LICENSE.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/LICENSE.md -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/README.md -------------------------------------------------------------------------------- /_episodes/.gitkeep: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /_episodes/00-code-organization-documentation.rst: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/00-code-organization-documentation.rst -------------------------------------------------------------------------------- /_episodes/00-command-line-basics.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/00-command-line-basics.md -------------------------------------------------------------------------------- /_episodes/00-git-and-github.rst: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/00-git-and-github.rst -------------------------------------------------------------------------------- /_episodes/00-git-standalone.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/00-git-standalone.md -------------------------------------------------------------------------------- /_episodes/00-github-standalone.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/00-github-standalone.md -------------------------------------------------------------------------------- /_episodes/00-setup.rst: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/00-setup.rst -------------------------------------------------------------------------------- /_episodes/00-testing-continuous-integration.rst: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/00-testing-continuous-integration.rst -------------------------------------------------------------------------------- /_episodes/01-package-setup.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/01-package-setup.md -------------------------------------------------------------------------------- /_episodes/02-git.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/02-git.md -------------------------------------------------------------------------------- /_episodes/03-github.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/03-github.md -------------------------------------------------------------------------------- /_episodes/04-function-style.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/04-function-style.md -------------------------------------------------------------------------------- /_episodes/05-package-structure.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/05-package-structure.md -------------------------------------------------------------------------------- /_episodes/06-type-hinting.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/06-type-hinting.md -------------------------------------------------------------------------------- /_episodes/07-collaboration.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/07-collaboration.md -------------------------------------------------------------------------------- /_episodes/08-testing.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/08-testing.md -------------------------------------------------------------------------------- /_episodes/09-CI.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/09-CI.md -------------------------------------------------------------------------------- /_episodes/10-distribution.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/10-distribution.md -------------------------------------------------------------------------------- /_episodes/10-documentation.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/10-documentation.md -------------------------------------------------------------------------------- /_episodes/Makefile: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/Makefile -------------------------------------------------------------------------------- /_episodes/_static/css/custom.css: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/_static/css/custom.css -------------------------------------------------------------------------------- /_episodes/_static/html/404.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/_static/html/404.html -------------------------------------------------------------------------------- /_episodes/_static/molssi_main_logo.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/_static/molssi_main_logo.png -------------------------------------------------------------------------------- /_episodes/_static/molssi_main_logo_inverted_white.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/_static/molssi_main_logo_inverted_white.png -------------------------------------------------------------------------------- /_episodes/_static/molssi_square.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/_static/molssi_square.png -------------------------------------------------------------------------------- /_episodes/_static/nsf.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/_static/nsf.png -------------------------------------------------------------------------------- /_episodes/_templates/molssi_footer.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/_templates/molssi_footer.html -------------------------------------------------------------------------------- /_episodes/conf.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/conf.py -------------------------------------------------------------------------------- /_episodes/convert.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/convert.ipynb -------------------------------------------------------------------------------- /_episodes/convert.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/convert.py -------------------------------------------------------------------------------- /_episodes/csv_tables/ci_testing.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/csv_tables/ci_testing.csv -------------------------------------------------------------------------------- /_episodes/csv_tables/documentation.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/csv_tables/documentation.csv -------------------------------------------------------------------------------- /_episodes/csv_tables/git_and_github.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/csv_tables/git_and_github.csv -------------------------------------------------------------------------------- /_episodes/csv_tables/setup.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/csv_tables/setup.csv -------------------------------------------------------------------------------- /_episodes/index.rst: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/index.rst -------------------------------------------------------------------------------- /_episodes/lexerpatch.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/lexerpatch.py -------------------------------------------------------------------------------- /_episodes/out.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/out.txt -------------------------------------------------------------------------------- /_episodes/requirements.yaml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/requirements.yaml -------------------------------------------------------------------------------- /_episodes/setup.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/_episodes/setup.md -------------------------------------------------------------------------------- /aio.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/aio.md -------------------------------------------------------------------------------- /bin/boilerplate/.travis.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/bin/boilerplate/.travis.yml -------------------------------------------------------------------------------- /bin/boilerplate/AUTHORS: -------------------------------------------------------------------------------- 1 | FIXME: list authors' names and email addresses. -------------------------------------------------------------------------------- /bin/boilerplate/CITATION: -------------------------------------------------------------------------------- 1 | FIXME: describe how to cite this lesson. -------------------------------------------------------------------------------- /bin/boilerplate/CONTRIBUTING.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/bin/boilerplate/CONTRIBUTING.md -------------------------------------------------------------------------------- /bin/boilerplate/README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/bin/boilerplate/README.md -------------------------------------------------------------------------------- /bin/boilerplate/_config.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/bin/boilerplate/_config.yml -------------------------------------------------------------------------------- /bin/boilerplate/_episodes/01-introduction.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/bin/boilerplate/_episodes/01-introduction.md -------------------------------------------------------------------------------- /bin/boilerplate/_extras/about.md: -------------------------------------------------------------------------------- 1 | --- 2 | title: About 3 | --- 4 | {% include carpentries.html %} 5 | -------------------------------------------------------------------------------- /bin/boilerplate/_extras/discuss.md: -------------------------------------------------------------------------------- 1 | --- 2 | title: Discussion 3 | --- 4 | FIXME 5 | -------------------------------------------------------------------------------- /bin/boilerplate/_extras/figures.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/bin/boilerplate/_extras/figures.md -------------------------------------------------------------------------------- /bin/boilerplate/_extras/guide.md: -------------------------------------------------------------------------------- 1 | --- 2 | title: "Instructor Notes" 3 | --- 4 | FIXME 5 | -------------------------------------------------------------------------------- /bin/boilerplate/aio.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/bin/boilerplate/aio.md -------------------------------------------------------------------------------- /bin/boilerplate/index.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/bin/boilerplate/index.md -------------------------------------------------------------------------------- /bin/boilerplate/reference.md: -------------------------------------------------------------------------------- 1 | --- 2 | layout: reference 3 | --- 4 | 5 | ## Glossary 6 | 7 | FIXME 8 | -------------------------------------------------------------------------------- /bin/boilerplate/setup.md: -------------------------------------------------------------------------------- 1 | --- 2 | title: Setup 3 | --- 4 | FIXME 5 | -------------------------------------------------------------------------------- /bin/chunk-options.R: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/bin/chunk-options.R -------------------------------------------------------------------------------- /bin/generate_md_episodes.R: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/bin/generate_md_episodes.R -------------------------------------------------------------------------------- /bin/knit_lessons.sh: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/bin/knit_lessons.sh -------------------------------------------------------------------------------- /bin/lesson_check.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/bin/lesson_check.py -------------------------------------------------------------------------------- /bin/lesson_initialize.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/bin/lesson_initialize.py -------------------------------------------------------------------------------- /bin/markdown_ast.rb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/bin/markdown_ast.rb -------------------------------------------------------------------------------- /bin/repo_check.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/bin/repo_check.py -------------------------------------------------------------------------------- /bin/test_lesson_check.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/bin/test_lesson_check.py -------------------------------------------------------------------------------- /bin/util.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/bin/util.py -------------------------------------------------------------------------------- /bin/workshop_check.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/bin/workshop_check.py -------------------------------------------------------------------------------- /code/.gitkeep: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /data/.gitkeep: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /data/starting_material.zip: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/data/starting_material.zip -------------------------------------------------------------------------------- /fig/.gitkeep: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /fig/08_CI/codecov_screenshot.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/fig/08_CI/codecov_screenshot.png -------------------------------------------------------------------------------- /fig/08_CI/github_travis_auth.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/fig/08_CI/github_travis_auth.png -------------------------------------------------------------------------------- /fig/08_CI/marketplace_ci.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/fig/08_CI/marketplace_ci.png -------------------------------------------------------------------------------- /fig/08_CI/pytestcov_reporthtml.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/fig/08_CI/pytestcov_reporthtml.png -------------------------------------------------------------------------------- /fig/08_CI/travis_triggermanual.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/fig/08_CI/travis_triggermanual.png -------------------------------------------------------------------------------- /fig/github_workflows/accepted_PR.svg: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/fig/github_workflows/accepted_PR.svg -------------------------------------------------------------------------------- /fig/github_workflows/branch_development.svg: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/fig/github_workflows/branch_development.svg -------------------------------------------------------------------------------- /fig/github_workflows/final.svg: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/fig/github_workflows/final.svg -------------------------------------------------------------------------------- /fig/github_workflows/git_branch.svg: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/fig/github_workflows/git_branch.svg -------------------------------------------------------------------------------- /fig/github_workflows/git_history_0.svg: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/fig/github_workflows/git_history_0.svg -------------------------------------------------------------------------------- /fig/github_workflows/github.svg: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/fig/github_workflows/github.svg -------------------------------------------------------------------------------- /fig/github_workflows/github_clone_fork.svg: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/fig/github_workflows/github_clone_fork.svg -------------------------------------------------------------------------------- /fig/github_workflows/github_fork.svg: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/fig/github_workflows/github_fork.svg -------------------------------------------------------------------------------- /fig/github_workflows/github_remotes.svg: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/fig/github_workflows/github_remotes.svg -------------------------------------------------------------------------------- /fig/github_workflows/push_branch.svg: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/fig/github_workflows/push_branch.svg -------------------------------------------------------------------------------- /fig/setup/vscode-button1.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/fig/setup/vscode-button1.png -------------------------------------------------------------------------------- /fig/setup/vscode-button2.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/fig/setup/vscode-button2.png -------------------------------------------------------------------------------- /files/.gitkeep: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /index.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/index.md -------------------------------------------------------------------------------- /reference.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/reference.md -------------------------------------------------------------------------------- /requirements.yaml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/requirements.yaml -------------------------------------------------------------------------------- /starting_material.zip: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MolSSI-Education/python-package-best-practices/HEAD/starting_material.zip --------------------------------------------------------------------------------