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docs: add citation file
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adosar committed Dec 17, 2024
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# This CITATION.cff file was generated with cffinit.
# Visit https://bit.ly/cffinit to generate yours today!

cff-version: 1.2.0
title: AIdsorb
message: >-
If you use this software, please cite it using the
metadata from this file.
type: software
authors:
- given-names: Antonios
name-particle: P.
family-names: Sarikas
orcid: 'https://orcid.org/0009-0008-8420-927X'
identifiers:
- type: doi
value: 10.1038/s41598-024-76319-8
description: The DOI of the paper.
repository-code: 'https://github.com/adosar/aidsorb'
url: 'https://aidsorb.readthedocs.io/en/stable/'
abstract: >-
Python package for deep learning on molecular point
clouds.
keywords:
- deep learning
- geometric deep learning
- point clouds
- machie learning
- pytorch
- pytorch lightning
- porous materials
- material informatics
- metal-organic frameworks
- molecular point clouds
license: GPL-3.0-only

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