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docs: update README.md with JOSS badge #579

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138 changes: 77 additions & 61 deletions CITATION.cff
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won't look in detail at these changes, will assume all is well.

Original file line number Diff line number Diff line change
@@ -1,72 +1,88 @@
# This CITATION.cff file was generated with cffinit.
# Visit https://bit.ly/cffinit to generate yours today!

cff-version: 1.2.0
doi: 10.5281/zenodo.6674124
title: "DeepRank2: Mining 3D Protein Structures with Geometric Deep Learning"
message: >-
If you use this software, please cite it using the
metadata from this file.
type: software
cff-version: "1.2.0"
authors:
- given-names: Giulia
family-names: Crocioni
email: [email protected]
affiliation: Netherlands eScience Center, Amsterdam, The Netherlands
- family-names: Crocioni
given-names: Giulia
orcid: "https://orcid.org/0000-0002-0823-0121"
- family-names: Bodor
given-names: Dani L.
orcid: "https://orcid.org/0000-0003-2109-2349"
- family-names: Baakman
given-names: Coos
orcid: "https://orcid.org/0000-0003-4317-1566"
- family-names: Parizi
given-names: Farzaneh M.
orcid: "https://orcid.org/0000-0003-4230-7492"
- family-names: Rademaker
given-names: Daniel-T.
orcid: "https://orcid.org/0000-0003-1959-1317"
- family-names: Ramakrishnan
given-names: Gayatri
orcid: "https://orcid.org/0000-0001-8203-2783"
- family-names: Burg
given-names: Sven A.
name-particle: van der
orcid: "https://orcid.org/0000-0003-1250-6968"
- family-names: Marzella
given-names: Dario F.
orcid: "https://orcid.org/0000-0002-0043-3055"
- family-names: Teixeira
given-names: João M. C.
orcid: "https://orcid.org/0000-0002-9113-0622"
- family-names: Xue
given-names: Li C.
orcid: "https://orcid.org/0000-0002-2613-538X"
contact:
- family-names: Crocioni
given-names: Giulia
orcid: "https://orcid.org/0000-0002-0823-0121"
doi: 10.5281/zenodo.10566809
message: If you use this software, please cite our article in the
Journal of Open Source Software.
preferred-citation:
authors:
- family-names: Crocioni
given-names: Giulia
orcid: "https://orcid.org/0000-0002-0823-0121"
- given-names: Dani L.
family-names: Bodor
email: [email protected]
affiliation: Netherlands eScience Center, Amsterdam, The Netherlands
- family-names: Bodor
given-names: Dani L.
orcid: "https://orcid.org/0000-0003-2109-2349"
- given-names: Coos
family-names: Baakman
affiliation: Center for Molecular Bioinformatics, Radboud Universitair Medisch Centrum, Nijmegen, Gelderland, The Netherlands
- family-names: Baakman
given-names: Coos
orcid: "https://orcid.org/0000-0003-4317-1566"
- given-names: Farzaneh Meimandi
family-names: Parizi
affiliation: Center for Molecular Bioinformatics, Radboud Universitair Medisch Centrum, Nijmegen, Gelderland, The Netherlands
- family-names: Parizi
given-names: Farzaneh M.
orcid: "https://orcid.org/0000-0003-4230-7492"
- given-names: Daniel-T.
family-names: Rademaker
affiliation: Center for Molecular Bioinformatics, Radboud Universitair Medisch Centrum, Nijmegen, Gelderland, The Netherlands
- family-names: Rademaker
given-names: Daniel-T.
orcid: "https://orcid.org/0000-0003-1959-1317"
- given-names: Gayatri
family-names: Ramakrishnan
affiliation: Center for Molecular Bioinformatics, Radboud Universitair Medisch Centrum, Nijmegen, Gelderland, The Netherlands
- family-names: Ramakrishnan
given-names: Gayatri
orcid: "https://orcid.org/0000-0001-8203-2783"
- given-names: Sven A.
family-names: van der Burg
affiliation: Netherlands eScience Center, Amsterdam, The Netherlands
- family-names: Burg
given-names: Sven A.
name-particle: van der
orcid: "https://orcid.org/0000-0003-1250-6968"
- given-names: Dario F.
family-names: Marzella
affiliation: Center for Molecular Bioinformatics, Radboud Universitair Medisch Centrum, Nijmegen, Gelderland, The Netherlands
- family-names: Marzella
given-names: Dario F.
orcid: "https://orcid.org/0000-0002-0043-3055"
- given-names: João M.C.
family-names: Teixeira
affiliation: Independent Researcher
- family-names: Teixeira
given-names: João M. C.
orcid: "https://orcid.org/0000-0002-9113-0622"
- given-names: Li C.
family-names: Xue
affiliation: Center for Molecular Bioinformatics, Radboud Universitair Medisch Centrum, Nijmegen, Gelderland, The Netherlands
- family-names: Xue
given-names: Li C.
orcid: "https://orcid.org/0000-0002-2613-538X"
abstract: >-
DeepRank2 is an open-source deep learning
framework for data mining of protein-protein interfaces
or single-residue variants.
keywords:
- Python
- PyTorch
- structural biology
- geometric deep learning
- 3D protein structures
- protein-protein interfaces
- single-residue variants
- graph neural networks
- convolutional neural networks
- DeepRank
license: Apache-2.0
commit: 4e8823758ba03f824b4281f5689cb6a335ab2f6c
version: "3.0.1"
date-released: "2024-02-22"
date-published: 2024-02-27
doi: 10.21105/joss.05983
issn: 2475-9066
issue: 94
journal: Journal of Open Source Software
publisher:
name: Open Journals
start: 5983
title: "DeepRank2: Mining 3D Protein Structures with Geometric Deep
Learning"
type: article
url: "https://joss.theoj.org/papers/10.21105/joss.05983"
volume: 9
title: "DeepRank2: Mining 3D Protein Structures with Geometric Deep
Learning"
5 changes: 2 additions & 3 deletions README.dev.md
Original file line number Diff line number Diff line change
Expand Up @@ -81,9 +81,8 @@ During the development cycle, three main supporting branches are used:

1. Branch from `dev` and prepare the branch for the release (e.g., removing the unnecessary dev files, fix minor bugs if necessary).
2. [Bump the version](https://github.com/DeepRank/deeprank2/blob/dev/README.dev.md#versioning).
3. Verify that the information in `CITATION.cff` is correct (update the release date), and that `.zenodo.json` contains equivalent data.
4. Merge the release branch into `main` (and `dev`), and [run the tests](https://github.com/DeepRank/deeprank2/blob/dev/README.dev.md#running-the-tests).
5. Go to https://github.com/DeepRank/deeprank2/releases and draft a new release; create a new tag for the release, generate release notes automatically and adjust them, and finally publish the release as latest. This will trigger [a GitHub action](https://github.com/DeepRank/deeprank2/actions/workflows/release.yml) that will take care of publishing the package on PyPi.
3. Merge the release branch into `main` (and `dev`), and [run the tests](https://github.com/DeepRank/deeprank2/blob/dev/README.dev.md#running-the-tests).
4. Go to https://github.com/DeepRank/deeprank2/releases and draft a new release; create a new tag for the release, generate release notes automatically and adjust them, and finally publish the release as latest. This will trigger [a GitHub action](https://github.com/DeepRank/deeprank2/actions/workflows/release.yml) that will take care of publishing the package on PyPi.

## UML

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2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -4,7 +4,7 @@
| :------------: | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
| **fairness** | [![fair-software.eu](https://img.shields.io/badge/fair--software.eu-%E2%97%8F%20%20%E2%97%8F%20%20%E2%97%8F%20%20%E2%97%8F%20%20%E2%97%8F-green)](https://fair-software.eu) [![CII Best Practices](https://bestpractices.coreinfrastructure.org/projects/6403/badge)](https://bestpractices.coreinfrastructure.org/projects/6403) |
| **package** | [![PyPI version](https://badge.fury.io/py/deeprank2.svg)](https://badge.fury.io/py/deeprank2) [![Codacy Badge](https://app.codacy.com/project/badge/Grade/b1bde03fc0334e07b0cd8a69ce2adeb3)](https://app.codacy.com/gh/DeepRank/deeprank2/dashboard?utm_source=gh&utm_medium=referral&utm_content=&utm_campaign=Badge_grade) |
| **docs** | [![Documentation Status](https://readthedocs.org/projects/deeprank2/badge/?version=latest)](https://deeprank2.readthedocs.io/en/latest/?badge=latest) [![RSD](https://img.shields.io/badge/RSD-deeprank2-pink)](https://research-software-directory.org/software/deeprankcore) [![DOI](https://zenodo.org/badge/450496579.svg)](https://zenodo.org/badge/latestdoi/450496579) |
| **docs** | [![Documentation Status](https://readthedocs.org/projects/deeprank2/badge/?version=latest)](https://deeprank2.readthedocs.io/en/latest/?badge=latest) [![RSD](https://img.shields.io/badge/RSD-deeprank2-pink)](https://research-software-directory.org/software/deeprankcore) [![DOI](https://zenodo.org/badge/450496579.svg)](https://zenodo.org/badge/latestdoi/450496579) [![DOI](https://joss.theoj.org/papers/10.21105/joss.05983/status.svg)](https://doi.org/10.21105/joss.05983) |
| **tests** | [![Build Status](https://github.com/DeepRank/deeprank2/actions/workflows/build-repo.yml/badge.svg)](https://github.com/DeepRank/deeprank2/actions) ![Linting status](https://github.com/DeepRank/deeprank2/actions/workflows/linting.yml/badge.svg?branch=main) [![Coverage Status](https://coveralls.io/repos/github/DeepRank/deeprank2/badge.svg?branch=main)](https://coveralls.io/github/DeepRank/deeprank2?branch=main) ![Python](https://img.shields.io/badge/python-3.10-blue.svg) <!--- ![Python](https://img.shields.io/badge/python-3.11-blue.svg) --> |
| **running on** | ![Ubuntu](https://img.shields.io/badge/Ubuntu-E95420?style=for-the-badge&logo=ubuntu&logoColor=white) |
| **license** | [![License](https://img.shields.io/badge/License-Apache_2.0-blue.svg)](https://opensource.org/license/apache-2-0/) |
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