diff --git a/CHANGELOG.md b/CHANGELOG.md index 15fb6f8..70b66fb 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -5,7 +5,7 @@ All notable changes to this project will be documented in this file. The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.1.0/), and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). -## [1.0.0] - 2025-10-02 +## [1.0.0] - 2025-10-08 ### Changed - Parameter sets (pKa values and force field-related parameters) from previous work are now belong to the pyMBE package and are directly accesible from the root path of the package. For example, the path to the Lunkad2021 data set can be accessed as `pmb.root / "parameters" / "peptides" / "Lunkad2021.json"`. (#132) diff --git a/CITATION.cff b/CITATION.cff index df82cfc..5f1ea54 100644 --- a/CITATION.cff +++ b/CITATION.cff @@ -132,10 +132,10 @@ references: - family-names: Blanco given-names: Pablo M. orcid: "https://orcid.org/0000-0002-7603-8617" - doi: 10.5281/zenodo.12102635 + doi: 10.5281/zenodo.12102634 type: software version: 1.0.0 title: pyMBE - date-released: "2025-10-02" + date-released: "2025-10-08" license: - GPL-3.0-or-later