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TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations

Journal of Chemical Theory and Computation(2024)10.1021/acs.jctc.4c00253Source: DataRank Database

TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations is a research paper published in Journal of Chemical Theory and Computation (2024). On theSindex it has a DataRank of 0. It has been cited 52 times.

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0DataRank · unranked

Scored on demand from live citation data

Open Access52 citations

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Linked data & code

TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations · arXiv

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›Methodology & internals

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Pipeline:MetadataData-paper checkEnrichmentCitation networkScoring

Enrichment:Funding (4 grants)Impact (FWCI 5.10)OA: greenTopics (16)Linked Datasets (1)DataCite Reuse (1)IDs (PubMed, OpenAlex)SDGs (1)

FAIR Checklist

Context only (not used in score)

Findable (2/2)

Has DOI
Indexed in repositories

Accessible (1/2)

Open Access

Interoperable (2/2)

DataCite relations
Linked datasets

Reusable (0/3)

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Authors (9)

Guillem Simeon ORCID,Raimondas Galvelis ORCID,Antonio Mirarchi ORCID,Peter Eastman ORCID,Stefan Doerr ORCID

Live enrichment

PubMed:38743033 OpenAlex:https://openalex.org/W4392271577

Ministerio de Ciencia e Innovaci?n

Grant: PID2020-116564GB-I00

Ag?ncia de Gesti? d'Ajuts Universitaris i de Recerca

Grant: FI-2-00587

Horizon 2020 Framework Programme

Grant: 823712

National Institute of General Medical Sciences

Grant: R01GM140090

FWCI

5.10

Citation Percentile

1.0%

Citation Trend

2024

2025

2026

greenLicense: cc-by

repositoryhttps://arxiv.org/pdf/2402.17660

publisherhttps://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00253

repositoryhttp://arxiv.org/abs/2402.17660

journalhttps://doi.org/10.1021/acs.jctc.4c00253

Fields of Study

Machine Learning in Materials ScienceFuel Cells and Related MaterialsProtein Structure and Dynamics

Keywords

Computer scienceModular designSoftwareComputationEnhanced Data Rates for GSM EvolutionAccelerationArtificial neural networkTransformation (genetics)RangingComputational scienceDistributed computingArtificial intelligenceAlgorithm

Sustainable Development Goals

SDG 0: Affordable and clean energy

TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations

10.48550/arxiv.2402.17660arXiv