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AGDIFF: Attention-Enhanced Diffusion for Molecular Geometry Prediction

Journal of Chemical Information and Modeling(2025)10.1021/acs.jcim.4c01896Source: DataRank Database

AGDIFF: Attention-Enhanced Diffusion for Molecular Geometry Prediction is a research paper published in Journal of Chemical Information and Modeling (2025). On theSindex it has a DataRank of 0. It has been cited 5 times.

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0DataRank · unranked

Scored on demand from live citation data

Open Access5 citations

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›Methodology & internals

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Pipeline:MetadataData-paper checkEnrichmentCitation networkScoring

Enrichment:Funding (2 grants)Impact (FWCI 4.02)OA: hybridTopics (31)IDs (PubMed, OpenAlex)SDGs (1)

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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Authors (3)

Fatemeh Fathi Niazi,Alex Dickson ORCID,André Brasil Vieira Wyzykowski ORCID

Live enrichment

PubMed:39933880 OpenAlex:https://openalex.org/W4407366140

National Institute of General Medical Sciences

Grant: R01GM130794

National Institutes of Health

Grant: 5R01GM130794-07

Revealing pathways and kinetics of molecular recognition with advanced molecular simulation algorithms

FWCI

4.02

Citation Percentile

0.9%

Citation Trend

2025

2026

hybridLicense: cc-by

journalhttps://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c01896?ref=article_openPDF

publisherhttps://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c01896?ref=article_openPDF

publisherhttps://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c01896

journalhttps://doi.org/10.1021/acs.jcim.4c01896

repositoryhttps://pubmed.ncbi.nlm.nih.gov/39933880

Fields of Study

Computational Drug Discovery MethodsMachine Learning in Materials ScienceProtein Structure and Dynamics0206 medical engineering02 engineering and technologyMachine LearningMolecular ConformationDrug DiscoveryDiffusionAlgorithmsMolecular Dynamics Simulation

MeSH Terms

Machine LearningAlgorithmsDiffusionPharmaceutical PreparationsModels, MolecularMolecular ConformationQuantum TheoryDrug DiscoveryMolecular Dynamics Simulation

Keywords

DiffusionGeometryComputer sciencePhysicsMathematicsThermodynamicsMachine LearningDrug DiscoveryMolecular ConformationMolecular Dynamics SimulationAlgorithms

Sustainable Development Goals

SDG 0: Climate action