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ZENODO
Dataset . 2025
License: CC BY
Data sources: ZENODO
ZENODO
Dataset . 2025
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2025
License: CC BY
Data sources: Datacite
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Claim

Data for ML-TPS study: alanine dipeptide and azobenzene

Research datakeyboard_double_arrow_right Dataset 18 Mar 2025Publisher:Zenodo
Authors: Fedik, Nikita;

doi: 10.5281/zenodo.15047940 , 10.5281/zenodo.15047941

Data for ML-TPS study: alanine dipeptide and azobenzene

Abstract

data for companion github repository: https://github.com/nikitafedik/ml_tps_si after git cloning the repository, download, insert and unpack the data.tar.zst in the repo root folder: git clone https://github.com/nikitafedik/ml_tps_si.gitcd ml_tps_siwget https://zenodo.org/records/15047941/files/data.tar.zsttar --use-compress-program=zstd -xf data.tar.zs

Related Organizations
Keywords

dataset, DFT, ML

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    popularity
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    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average