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CONTRIBUTING.md

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If you like to suggest or add a project, choose one of the following ways:
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- Suggest a project by opening an issue: Please use the suggest project template from the [issue page](https://github.com/JuDFTteam/best-of-ml-atomistic/issues/new/choose) and fill in the requested information.
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- Add a project by modifying the [projects.yaml](https://github.com/JuDFTteam/best-of-ml-atomistic/blob/main/projects.yaml) and submitting a pull request with your addition. This can also be done directly via the [Github UI](https://github.com/JuDFTteam/best-of-ml-atomistic/edit/main/projects.yaml).
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- Suggest a project by opening an issue: Please use the suggest project template from the [issue page](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/issues/new/choose) and fill in the requested information.
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- Add a project by modifying the [projects.yaml](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/projects.yaml) and submitting a pull request with your addition. This can also be done directly via the [Github UI](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/edit/main/projects.yaml).
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Before opening an issue or pull request, please ensure that you adhere to the following guidelines:
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```
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- Please create an individual issue or pull request for each project.
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- Please use the following title format for the issue or pull request: `Add project: project-name`.
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- If a project doesn't fit into any of the pre-existing categories, it should go under the `Others` category by not assigning any category. You can also suggest a new category via the add or update category template on the [issue page](https://github.com/JuDFTteam/best-of-ml-atomistic/issues/new/choose).
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- If a project doesn't fit into any of the pre-existing categories, it should go under the `Others` category by not assigning any category. You can also suggest a new category via the add or update category template on the [issue page](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/issues/new/choose).
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## Update a project
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If you like to suggest or contribute a project update, choose one of the following ways:
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- Suggest a project update by opening an issue: Please use the update project template from the [issue page](https://github.com/JuDFTteam/best-of-ml-atomistic/issues/new/choose) and fill in the requested information.
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- Update a project by modifying the [projects.yaml](https://github.com/JuDFTteam/best-of-ml-atomistic/blob/main/projects.yaml) and submitting a pull request with your changes. This can also be done directly via the [Github UI](https://github.com/JuDFTteam/best-of-ml-atomistic/edit/main/projects.yaml).
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- Suggest a project update by opening an issue: Please use the update project template from the [issue page](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/issues/new/choose) and fill in the requested information.
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- Update a project by modifying the [projects.yaml](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/projects.yaml) and submitting a pull request with your changes. This can also be done directly via the [Github UI](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/edit/main/projects.yaml).
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Before opening an issue or pull request, please ensure that you adhere to the following guidelines:
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config/footer.md

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## Related Resources
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Datasets.
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- [**The Collection of Database and Dataset Resources in Materials Science**](https://github.com/sedaoturak/data-resources-for-materials-science).
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General machine learning.
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- [**Graph-based Deep Learning Literature**](https://github.com/naganandy/graph-based-deep-learning-literature). The repository contains links primarily to conference publications in graph-based deep learning
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- [**best-of-ml-python**](https://github.com/ml-tooling/best-of-ml-python): A ranked list of awesome machine learning Python libraries.
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- [**Best-of lists**](https://best-of.org): Discover other best-of lists with awesome open-source projects on all kinds of topics.
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Materials informatics.
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- [**tilde-lab - Awesome Materials Informatics**](https://github.com/tilde-lab/awesome-materials-informatics).
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- [**GitHub Topic > materials-informatics**](https://github.com/topics/materials-informatics)
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- [**A Highly Opinionated List of Open-Source Materials Informatics Resources**](https://github.com/ncfrey/resources). Last update 2022.
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Quantum physics.
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- [**Github Topic > tensor-networks**](https://github.com/topics/tensor-networks)
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## Contribution
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Contributions are encouraged and always welcome! If you like to add or update projects, choose one of the following ways:
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- Open an issue by selecting one of the provided categories from the [issue page](https://github.com/JuDFTteam/best-of-ml-atomistic/issues/new/choose) and fill in the requested information.
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- Modify the [projects.yaml](https://github.com/JuDFTteam/best-of-ml-atomistic/blob/main/projects.yaml) with your additions or changes, and submit a pull request. This can also be done directly via the [Github UI](https://github.com/JuDFTteam/best-of-ml-atomistic/edit/main/projects.yaml).
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- Open an issue by selecting one of the provided categories from the [issue page](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/issues/new/choose) and fill in the requested information.
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- Modify the [projects.yaml](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/projects.yaml) with your additions or changes, and submit a pull request. This can also be done directly via the [Github UI](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/edit/main/projects.yaml).
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If you like to contribute to or share suggestions regarding the project metadata collection or markdown generation, please refer to the [best-of-generator](https://github.com/best-of-lists/best-of-generator) repository. If you like to create your own best-of list, we recommend to follow [this guide](https://github.com/best-of-lists/best-of/blob/main/create-best-of-list.md).
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For more information on how to add or update projects, please read the [contribution guidelines](https://github.com/JuDFTteam/best-of-ml-atomistic/blob/main/CONTRIBUTING.md). By participating in this project, you agree to abide by its [Code of Conduct](https://github.com/JuDFTteam/best-of-ml-atomistic/blob/main/.github/CODE_OF_CONDUCT.md).
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For more information on how to add or update projects, please read the [contribution guidelines](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/CONTRIBUTING.md). By participating in this project, you agree to abide by its [Code of Conduct](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/blob/main/.github/CODE_OF_CONDUCT.md).
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## License
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config/header.md

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<!-- markdownlint-disable -->
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<h1 align="center">
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best-of-ml-atomistic
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best-of-atomistic-machine-learning
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<br>
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</h1>
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<p align="center">
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<strong>🏆&nbsp; A ranked list of awesome projects. Updated weekly.</strong>
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<strong>🏆&nbsp; A ranked list of awesome atomistic machine learning (AML) projects. Updated monthly.</strong>
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</p>
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<p align="center">
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<a href="https://best-of.org" title="Best-of Badge"><img src="http://bit.ly/3o3EHNN"></a>
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<a href="#Contents" title="Project Count"><img src="https://img.shields.io/badge/projects-{project_count}-blue.svg?color=5ac4bf"></a>
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<a href="#Contribution" title="Contributions are welcome"><img src="https://img.shields.io/badge/contributions-welcome-green.svg"></a>
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<a href="https://github.com/JuDFTteam/best-of-ml-atomistic/releases" title="Best-of Updates"><img src="https://img.shields.io/github/release-date/JuDFTteam/best-of-ml-atomistic?color=green&label=updated"></a>
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<a href="https://github.com/JuDFTteam/best-of-atomistic-machine-learning/releases" title="Best-of Updates"><img src="https://img.shields.io/github/release-date/JuDFTteam/best-of-atomistic-machine-learning?color=green&label=updated"></a>
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</p>
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This curated list contains {project_count} awesome open-source projects with a total of {stars_count} stars grouped into {category_count} categories. All projects are ranked by a project-quality score, which is calculated based on various metrics automatically collected from GitHub and different package managers. If you like to add or update projects, feel free to open an [issue](https://github.com/JuDFTteam/best-of-ml-atomistic/issues/new/choose), submit a [pull request](https://github.com/JuDFTteam/best-of-ml-atomistic/pulls), or directly edit the [projects.yaml](https://github.com/JuDFTteam/best-of-ml-atomistic/edit/main/projects.yaml). Contributions are very welcome!
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This curated list contains {project_count} awesome open-source projects with a total of {stars_count} stars grouped into {category_count} categories. All projects are ranked by a project-quality score, which is calculated based on various metrics automatically collected from GitHub and different package managers. If you like to add or update projects, feel free to open an [issue](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/issues/new/choose), submit a [pull request](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/pulls), or directly edit the [projects.yaml](https://github.com/JuDFTteam/best-of-atomistic-machine-learning/edit/main/projects.yaml).
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The current focus of this list is more on simulation data rather than experimental data, and more on materials rather than molecules. Nevertheless, contributions from other fields are warmly welcome!
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> 🧙‍♂️ Discover other [best-of lists](https://best-of.org) or [create your own](https://github.com/best-of-lists/best-of/blob/main/create-best-of-list.md).

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