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DeePMD-GNN: A DeePMD-kit Plugin for External Graph Neural Network Potentials

Journal of Chemical Information and Modeling(2025)10.1021/acs.jcim.4c02441Source: DataRank Database

DeePMD-GNN: A DeePMD-kit Plugin for External Graph Neural Network Potentials is a research paper published in Journal of Chemical Information and Modeling (2025). On theSindex it has a DataRank of 0.464. It has been cited 21 times.

N/A

0.464DataRank · unranked

Scored on demand from live citation data

Open Access21 citations

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›Methodology & internals

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Pipeline:MetadataData-paper checkEnrichmentCitation networkScoring

Enrichment:Funding (7 grants)Impact (FWCI 5.58)OA: hybridTopics (28)IDs (PubMed, OpenAlex)

FAIR Checklist

Context only (not used in score)

Findable (1/2)

Has DOI

Accessible (1/2)

Open Access

Interoperable (0/2)

Reusable (0/3)

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DataRank Breakdown

Base Score 100%Citation Network 0%

Base Score Contribution

0.464

From this paper's citation signal

Citation Network Contribution

Citation network not refreshed for this result

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Authors (5)

Timothy J. Giese ORCID,Duo Zhang ORCID,Han Wang ORCID,Darrin M. York ORCID,Jinzhe Zeng ORCID

Live enrichment

PubMed:40150804 OpenAlex:https://openalex.org/W4408914802

National Key Research and Development Program of China

Grant: 2022YFA1004300

National Natural Science Foundation of China

Grant: 12122103

National Institutes of Health

Grant: GM107485

National Science Foundation

Grant: 2209718

Collaborative Research: Frameworks: Interoperable High-Performance Classical, Machine Learning and Quantum Free Energy Methods in AMBER

NIGMS NIH HHS

Grant: R01 GM062248

NIGMS NIH HHS

Grant: R01 GM107485

NIGMS NIH HHS

Grant: R13 GM066248

FWCI

5.58

Citation Percentile

1.0%

Citation Trend

2025

2026

hybridLicense: cc-by

journalhttps://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c02441

publisherhttps://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c02441

journalhttps://doi.org/10.1021/acs.jcim.4c02441

repositoryhttps://pubmed.ncbi.nlm.nih.gov/40150804

https://www.ncbi.nlm.nih.gov/pmc/articles/12030209

Fields of Study

Machine Learning in Materials ScienceComputational Drug Discovery MethodsAdvanced Graph Neural Networks0202 electrical engineering, electronic engineering, information engineering02 engineering and technologyNeural Networks, ComputerMolecular Dynamics SimulationSoftwareQuantum TheoryGraph Neural Networks

MeSH Terms

Graph Neural NetworksQuantum TheorySoftwareNeural Networks, ComputerMolecular Dynamics Simulation

Keywords

Plug-inComputer scienceGraphArtificial neural networkArtificial intelligenceTheoretical computer scienceProgramming languageApplication NoteQuantum TheoryNeural Networks, ComputerGraph Neural NetworksMolecular Dynamics SimulationSoftware