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update readme and cff with new JOSS citation
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# This CITATION.cff file was generated with cffinit. | ||
# Visit https://bit.ly/cffinit to generate yours today! | ||
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cff-version: 1.2.0 | ||
title: astartes | ||
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: Jackson | ||
family-names: Burns | ||
orcid: 'https://orcid.org/0000-0002-0657-9426' | ||
affiliation: >- | ||
Center for Computational Science and Engineering, | ||
Massachusetts Institute of Technology | ||
- given-names: Kevin | ||
family-names: Spiekermann | ||
affiliation: >- | ||
Department of Chemical Engineering, Massachusetts | ||
Institute of Technology, United States | ||
orcid: 'https://orcid.org/0000-0002-9484-9253' | ||
- given-names: Himaghna | ||
family-names: Bhattacharjee | ||
orcid: 'https://orcid.org/0000-0002-6598-3939' | ||
affiliation: >- | ||
Department of Chemical and Biomolecular Engineering, | ||
University of Delaware, United States | ||
- given-names: Dionisios | ||
family-names: Vlachos | ||
orcid: 'https://orcid.org/0000-0002-6795-8403' | ||
affiliation: >- | ||
Department of Chemical and Biomolecular Engineering, | ||
University of Delaware, United States | ||
- given-names: William | ||
family-names: Green | ||
orcid: 'https://orcid.org/0000-0003-2603-9694' | ||
affiliation: >- | ||
Department of Chemical and Biomolecular Engineering, | ||
University of Delaware, United States | ||
identifiers: | ||
- type: doi | ||
value: 10.5281/zenodo.7884532 | ||
description: zenodo deposit of v1.0.0 | ||
repository-code: 'https://github.com/JacksonBurns/astartes' | ||
url: 'https://jacksonburns.github.io/astartes/' | ||
abstract: Better Data Splits for Machine Learning with astartes | ||
keywords: | ||
- Python | ||
- machine learning | ||
- sampling | ||
- interpolation | ||
- extrapolation | ||
- data splits | ||
- cheminformatics | ||
license: MIT | ||
- family-names: Burns | ||
given-names: Jackson W. | ||
orcid: "https://orcid.org/0000-0002-0657-9426" | ||
- family-names: Spiekermann | ||
given-names: Kevin A. | ||
orcid: "https://orcid.org/0000-0002-9484-9253" | ||
- family-names: Bhattacharjee | ||
given-names: Himaghna | ||
orcid: "https://orcid.org/0000-0002-6598-3939" | ||
- family-names: Vlachos | ||
given-names: Dionisios G. | ||
orcid: "https://orcid.org/0000-0002-6795-8403" | ||
- family-names: Green | ||
given-names: William H. | ||
orcid: "https://orcid.org/0000-0003-2603-9694" | ||
contact: | ||
- family-names: Burns | ||
given-names: Jackson W. | ||
orcid: "https://orcid.org/0000-0002-0657-9426" | ||
doi: 10.5281/zenodo.8147205 | ||
message: If you use this software, please cite our article in the | ||
Journal of Open Source Software. | ||
preferred-citation: | ||
authors: | ||
- family-names: Burns | ||
given-names: Jackson W. | ||
orcid: "https://orcid.org/0000-0002-0657-9426" | ||
- family-names: Spiekermann | ||
given-names: Kevin A. | ||
orcid: "https://orcid.org/0000-0002-9484-9253" | ||
- family-names: Bhattacharjee | ||
given-names: Himaghna | ||
orcid: "https://orcid.org/0000-0002-6598-3939" | ||
- family-names: Vlachos | ||
given-names: Dionisios G. | ||
orcid: "https://orcid.org/0000-0002-6795-8403" | ||
- family-names: Green | ||
given-names: William H. | ||
orcid: "https://orcid.org/0000-0003-2603-9694" | ||
date-published: 2023-11-05 | ||
doi: 10.21105/joss.05996 | ||
issn: 2475-9066 | ||
issue: 91 | ||
journal: Journal of Open Source Software | ||
publisher: | ||
name: Open Journals | ||
start: 5996 | ||
title: Machine Learning Validation via Rational Dataset Sampling with | ||
astartes | ||
type: article | ||
url: "https://joss.theoj.org/papers/10.21105/joss.05996" | ||
volume: 8 | ||
title: Machine Learning Validation via Rational Dataset Sampling with | ||
`astartes` |
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