From 4b2e64c0aa3ae1bab27862d18eb955028dd9230b Mon Sep 17 00:00:00 2001 From: Nicolas Renaud Date: Tue, 16 Nov 2021 15:48:58 +0100 Subject: [PATCH 1/5] created cff file --- CITATION.CFF | 37 +++++++++++++++++++++++++++++++++++++ 1 file changed, 37 insertions(+) create mode 100644 CITATION.CFF diff --git a/CITATION.CFF b/CITATION.CFF new file mode 100644 index 0000000..79caab4 --- /dev/null +++ b/CITATION.CFF @@ -0,0 +1,37 @@ +# This CITATION.cff file was generated with cffinit. +# Visit https://bit.ly/cffinit to generate yours today! + +cff-version: 1.2.0 +title: DeepRank-GNN +message: >- + If you use this software, please cite it using the + metadata from this file. +type: software +authors: + - given-names: Manon + family-names: Réau + email: m.f.reau@uu.nl + affiliation: Utrecht University + orcid: 'https://orcid.org/0000-0002-3862-8990' + - given-names: Nicolas + family-names: Renaud + email: nicolas.gm.renaud@gmail.com + affiliation: Netherlands eScience Center + orcid: 'https://orcid.org/0000-0001-9589-2694' +identifiers: + - type: url + value: '' + description: 'https://github.com/DeepRank/Deeprank-GNN' +repository-code: 'https://github.com/DeepRank/Deeprank-GNN' +url: 'https://deeprank-gnn.readthedocs.io/' +abstract: >- + DeepRank-GNN allows ranking of Protein-protein + Interface using a graph representation of the + contact residues. Graphs of such interfaces are + used to train graph neural network for the + prediction of the experimental validity of the + interface. +keywords: + - graph neural network + - protein-protein interface +license: Apache-2.0 From 2629c67670ad6624a3dc4f558ce386340a708b03 Mon Sep 17 00:00:00 2001 From: Manon Reau Date: Tue, 16 Nov 2021 15:50:37 +0100 Subject: [PATCH 2/5] Update README.md --- README.md | 1 + 1 file changed, 1 insertion(+) diff --git a/README.md b/README.md index 7858472..f59c5c0 100644 --- a/README.md +++ b/README.md @@ -4,6 +4,7 @@ [![Build Status](https://github.com/DeepRank/DeepRank-GNN/workflows/build/badge.svg)](https://github.com/DeepRank/DeepRank-GNN/actions) [![Codacy Badge](https://api.codacy.com/project/badge/Grade/f3f98b2d1883493ead50e3acaa23f2cc)](https://app.codacy.com/gh/DeepRank/DeepRank-GNN?utm_source=github.com&utm_medium=referral&utm_content=DeepRank/DeepRank-GNN&utm_campaign=Badge_Grade) [![Coverage Status](https://coveralls.io/repos/github/DeepRank/Deeprank-GNN/badge.svg?branch=master)](https://coveralls.io/github/DeepRank/Deeprank-GNN?branch=master) +[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5705399.svg)](https://doi.org/10.5281/zenodo.5705399) ![alt-text](./deeprank_gnn.png) From d3200f0468f80e1262f749504ebcc847a0083d88 Mon Sep 17 00:00:00 2001 From: Manon Reau Date: Tue, 16 Nov 2021 15:53:10 +0100 Subject: [PATCH 3/5] Update CITATION.CFF --- CITATION.CFF | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CITATION.CFF b/CITATION.CFF index 79caab4..4251fb4 100644 --- a/CITATION.CFF +++ b/CITATION.CFF @@ -10,7 +10,7 @@ type: software authors: - given-names: Manon family-names: Réau - email: m.f.reau@uu.nl + email: manon.reau@gmail.com affiliation: Utrecht University orcid: 'https://orcid.org/0000-0002-3862-8990' - given-names: Nicolas From e5abeb660e57526db2ea0aabeb4447458823092a Mon Sep 17 00:00:00 2001 From: Manon Reau Date: Tue, 16 Nov 2021 15:56:58 +0100 Subject: [PATCH 4/5] Update __version__.py --- deeprank_gnn/__version__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/deeprank_gnn/__version__.py b/deeprank_gnn/__version__.py index 8ce9b36..72837bd 100644 --- a/deeprank_gnn/__version__.py +++ b/deeprank_gnn/__version__.py @@ -1 +1 @@ -__version__ = '0.1.3' +__version__ = '1.3.1' From 4093982c3ed79c552197ef4f22d618b62041cc98 Mon Sep 17 00:00:00 2001 From: Manon Reau Date: Tue, 16 Nov 2021 16:00:09 +0100 Subject: [PATCH 5/5] Update __version__.py --- deeprank_gnn/__version__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/deeprank_gnn/__version__.py b/deeprank_gnn/__version__.py index 72837bd..7525d19 100644 --- a/deeprank_gnn/__version__.py +++ b/deeprank_gnn/__version__.py @@ -1 +1 @@ -__version__ = '1.3.1' +__version__ = '0.1.4'