mol_diffusion
Science Score: 44.0%
This score indicates how likely this project is to be science-related based on various indicators:
-
✓CITATION.cff file
Found CITATION.cff file -
✓codemeta.json file
Found codemeta.json file -
✓.zenodo.json file
Found .zenodo.json file -
○DOI references
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○Academic publication links
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○Academic email domains
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○Institutional organization owner
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○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (15.5%) to scientific vocabulary
Repository
Basic Info
- Host: GitHub
- Owner: hengma1001
- License: mit
- Language: Python
- Default Branch: main
- Size: 48.8 KB
Statistics
- Stars: 0
- Watchers: 1
- Forks: 0
- Open Issues: 1
- Releases: 0
Metadata Files
README.md
Python Package Template Repo
Python package template repo that provides:
- Package, examples, and testing layout.
- GitHub PR and Issue templates.
- Example docs with MKDocs and GitHub Pages.
- CI framework with pre-commit and tox.
- GitHub actions for running tests and publishing packages.
This package setup was based on Anthony Sottile's project setup but deviates in some places (e.g., pyproject.toml and ruff).
Setup Instructions
- Click the "Use this template" button at the top right of this page.
- Delete and directories you will not be using (commonly
docs/if you do not want to use MKDocs orexamples/if you will not have example code). - Follow the instructions to create the new repo then clone your repo locally.
- The template uses "foobar" to indicate things that need to be changed.
Start by searching for all instances (
git grep foobar) and changing them accordingly. - Configure pre-commit:
- Go to https://pre-commit.ci/ and enable pre-commit on your repo.
- Update the pre-commit badge URL in this README with your new badge URL.
- Configure GitHub pages:
- Go to the "Pages" section of your repository settings.
- Select "Deploy from a branch" and use the "gh-pages" branch.
- Configure PyPI releases (if relevant):
- Create a new API token for https://pypi.org/.
- Add the token as a GitHub actions secret (see the instructions here).
- Delete this boilerplate stuff in the README.
- Commit and push changes.
GitHub Configuration
I recommend making a few other changes to the repo's setting on GitHub.
- In "General"
- Select/deselect features you need/don't need.
- Select "Automatically delete head branches
- In "Branches": enable branch protection on main.
- Check "Require a pull request before merging"
- Check "Require status checks to pass before merging"
- Check "Require branches to be up to date before merging"
- Set required checks (e.g., pre-commit.ci, tests, etc.)
- Check "Do not allow bypassing the above settings"
Installation
Install via pip:
$ pip install foobar
For local development:
$ tox --devenv venv -e py 310
$ pre-commit install
or
$ pip install -e .
Additional README Sections
...
Owner
- Name: Heng Ma
- Login: hengma1001
- Kind: user
- Repositories: 5
- Profile: https://github.com/hengma1001
Citation (CITATION.cff)
cff-version: 1.2.0
message: If you use this software, please cite it as below.
authors:
- family-names: Pauloski
given-names: Greg
orcid: https://orcid.org/0000-0002-6547-6902
license: MIT
repository-code: https://github.com/foobar-author/foobar
title: FooBar
url: https://foobar.dev
GitHub Events
Total
Last Year
Dependencies
- actions/checkout v4 composite
- actions/cache v3 composite
- actions/checkout v4 composite
- actions/setup-python v5 composite
- actions/cache v3 composite
- actions/checkout v4 composite
- actions/setup-python v5 composite
- actions/checkout v4 composite
- actions/setup-python v5 composite
- pypa/gh-action-pypi-publish release/v1 composite
- actions/cache v3 composite
- actions/checkout v4 composite
- actions/setup-python v5 composite
- requests *