wangyq.net
Science Score: 31.0%
This score indicates how likely this project is to be science-related based on various indicators:
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✓CITATION.cff file
Found CITATION.cff file -
✓codemeta.json file
Found codemeta.json file -
○.zenodo.json file
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○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 (13.7%) to scientific vocabulary
Repository
Basic Info
- Host: GitHub
- Owner: yuanqing-wang
- License: cc0-1.0
- Language: SCSS
- Default Branch: main
- Size: 1.09 MB
Statistics
- Stars: 0
- Watchers: 1
- Forks: 1
- Open Issues: 0
- Releases: 0
Metadata Files
README.md
The Minimal theme
Minimal is a Jekyll theme for GitHub Pages. You can preview the theme to see what it looks like, or even use it today.
![]()
Usage
To use the Minimal theme:
Add the following to your site's
_config.yml:```yml remote_theme: pages-themes/minimal@v0.2.0 plugins:
- jekyll-remote-theme # add this line to the plugins list if you already have one ```
Optionally, if you'd like to preview your site on your computer, add the following to your site's
Gemfile:ruby gem "github-pages", group: :jekyll_plugins
Customizing
Configuration variables
Minimal will respect the following variables, if set in your site's _config.yml:
yml
title: [The title of your site]
description: [A short description of your site's purpose]
Additionally, you may choose to set the following optional variables:
yml
show_downloads: ["true" or "false" (unquoted) to indicate whether to provide a download URL]
google_analytics: [Your Google Analytics tracking ID]
Stylesheet
If you'd like to add your own custom styles:
- Create a file called
/assets/css/style.scssin your site Add the following content to the top of the file, exactly as shown:
```scss
@import "{{ site.theme }}"; ```
Add any custom CSS (or Sass, including imports) you'd like immediately after the
@importline
Note: If you'd like to change the theme's Sass variables, you must set new values before the @import line in your stylesheet.
Layouts
If you'd like to change the theme's HTML layout:
- For some changes such as a custom
favicon, you can add custom files in your local_includesfolder. The files provided with the theme provide a starting point and are included by the original layout template. - For more extensive changes, copy the original template from the theme's repository
(Pro-tip: click "raw" to make copying easier) - Create a file called
/_layouts/default.htmlin your site - Paste the default layout content copied in the first step
- Customize the layout as you'd like
Customizing Google Analytics code
Google has released several iterations to their Google Analytics code over the years since this theme was first created. If you would like to take advantage of the latest code, paste it into _includes/head-custom-google-analytics.html in your Jekyll site.
Overriding GitHub-generated URLs
Templates often rely on URLs supplied by GitHub such as links to your repository or links to download your project. If you'd like to override one or more default URLs:
- Look at the template source to determine the name of the variable. It will be in the form of
{{ site.github.zip_url }}. - Specify the URL that you'd like the template to use in your site's
_config.yml. For example, if the variable wassite.github.url, you'd add the following:yml github: zip_url: http://example.com/download.zip another_url: another value - When your site is built, Jekyll will use the URL you specified, rather than the default one provided by GitHub.
Note: You must remove the site. prefix, and each variable name (after the github.) should be indent with two space below github:.
For more information, see the Jekyll variables documentation.
Roadmap
See the open issues for a list of proposed features (and known issues).
Project philosophy
The Minimal theme is intended to make it quick and easy for GitHub Pages users to create their first (or 100th) website. The theme should meet the vast majority of users' needs out of the box, erring on the side of simplicity rather than flexibility, and provide users the opportunity to opt-in to additional complexity if they have specific needs or wish to further customize their experience (such as adding custom CSS or modifying the default layout). It should also look great, but that goes without saying.
Contributing
Interested in contributing to Minimal? We'd love your help. Minimal is an open source project, built one contribution at a time by users like you. See the CONTRIBUTING file for instructions on how to contribute.
Previewing the theme locally
If you'd like to preview the theme locally (for example, in the process of proposing a change):
- Clone down the theme's repository (
git clone https://github.com/pages-themes/minimal) cdinto the theme's directory- Run
script/bootstrapto install the necessary dependencies - Run
bundle exec jekyll serveto start the preview server - Visit
localhost:4000in your browser to preview the theme
Running tests
The theme contains a minimal test suite, to ensure a site with the theme would build successfully. To run the tests, simply run script/cibuild. You'll need to run script/bootstrap once before the test script will work.
Owner
- Name: Yuanqing Wang
- Login: yuanqing-wang
- Kind: user
- Location: New York, NY
- Company: @choderalab
- Website: wangyq.net
- Twitter: YuanqingWang
- Repositories: 10
- Profile: https://github.com/yuanqing-wang
Citation (citations.bib)
@article{wang2019graph,
title={Graph nets for partial charge prediction},
author={Wang, Yuanqing and Fass, Josh and Stern, Chaya D and Luo, Kun and Chodera, John},
journal={arXiv preprint arXiv:1909.07903},
year={2019}
}
@article{wade2019computational,
title={Computational fluorine scanning using free-energy perturbation},
author={Wade, Alexander D and Rizzi, Andrea and Wang, Yuanqing and Huggins, David J},
journal={Journal of Chemical Information and Modeling},
volume={59},
number={6},
pages={2776--2784},
year={2019},
publisher={American Chemical Society}
}
@inproceedings{wang2020bayesian,
title={Bayesian Active Drug Discovery},
author={Wang, Yuanqing and Nguyen, Manh and Retchin, Michael and Chodera, John D and Karaletsos, Theofanis},
booktitle={ICML Real ML Workshop},
pages={https--realworldml},
year={2020}
}
@article{wang2020end,
title={End-to-end differentiable molecular mechanics force field construction},
author={Wang, Yuanqing and Fass, Josh and Chodera, John D},
journal={arXiv preprint arXiv:2010.01196},
year={2020}
}
@article{wang2021stochastic,
title={Stochastic Aggregation in Graph Neural Networks},
author={Wang, Yuanqing and Karaletsos, Theofanis},
journal={arXiv preprint arXiv:2102.12648},
year={2021}
}
@article{zhang2022familial,
title={Familial atrial myopathy in a large multigenerational heart-hand syndrome pedigree carrying an LMNA missense variant in rod 2B domain (p. R335W)},
author={Zhang, Yike and Lin, Yongping and Zhang, Yanjuan and Wang, Yuanqing and Li, Zhaomin and Zhu, Yue and Liu, Hailei and Ju, Weizhu and Cui, Chang and Chen, Minglong},
journal={Heart Rhythm},
volume={19},
number={3},
pages={466--475},
year={2022},
publisher={Elsevier}
}
@article{eastman2023spice,
title={SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials},
author={Eastman, Peter and Behara, Pavan Kumar and Dotson, David L and Galvelis, Raimondas and Herr, John E and Horton, Josh T and Mao, Yuezhi and Chodera, John D and Pritchard, Benjamin P and Wang, Yuanqing and others},
journal={Scientific Data},
volume={10},
number={1},
pages={11},
year={2023},
publisher={Nature Publishing Group UK London}
}
@article{wang2023spatial,
title={Spatial Attention Kinetic Networks with E (n)-Equivariance},
author={Wang, Yuanqing and Chodera, John D},
journal={arXiv preprint arXiv:2301.08893},
year={2023}
}