NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces is a dataset published in Digital Discovery (2022). On theSindex it has a DataRank of 3.7, placing it in the top 6.1% of the data-sharing corpus. It has been cited 134 times, with 100 citing works in its 1-hop citation network. Its calibrated FAIR score is 60/100.
Ranks in the top 6% for downstream scientific impact
Linked data & code
DataRank reads this dataset's downstream impact straight off the citation graph — no black box, no proprietary weighting. How is this computed?
FAIR checklist signals are shown for context only and do not affect DataRank scoring.
Full FAIR picture · advisory
The headline score is computed from the scored criteria — the fact-shaped checks (a repository, an accession, a licence) that two independent models agree on. The advisory criteria below are real FAIR guidance but rest on judgment calls that models read differently, so they inform without moving the number.
“https://doi.org/10.6084/m9.figshare.19601689”
The paper provides a DOI (10.6084/m9.figshare.19601689) for the hydrogen combustion dataset, which is a persistent identifier scheme. [majority verdict 'yes' (2/4 passes agreed)]
RDA-F1-01D — FAIR Data Maturity Model: 'Data is identified by a persistent identifier' (priorit · RDA-F1-02D — FAIR Data Maturity Model: 'Data is identified by a globally unique identifier' · FsF-F1-02D — F-UJI/FAIRsFAIR: 'Data is assigned a persistent identifier'
“figshare”
The data are made available at figshare, a repository that is listed in re3data and FAIRsharing. [majority verdict 'yes' (2/4 passes agreed)]
RDA-F4-01M — FAIR Data Maturity Model: metadata is offered so it can be harvested and indexed ( · NIH DMS Policy Element 4 (NOT-OD-21-014) — name the repository where data will be archived · NSTC Desirable Characteristics of Data Repositories (2022) — 'Long-Term Sustainability', 'Reten
“answers”— not found in the paper; verdict downgraded
The dataset's DOI appears only in the body text (data availability section), not in the reference list, so it is a body-text occurrence. [downgraded to 'no' — no verifiable quote from the paper] [majority verdict 'no' (2/4 passes agreed)]
FORCE11 Joint Declaration of Data Citation Principles (2014) — data should be cited as a first- · RDA-F3-01M — metadata clearly and explicitly includes the identifier of the data it describes · FsF-F3-01M — F-UJI: 'Metadata includes the identifier of the data it describes'
Advisory · not in the published score
“The GitHub repository is publicly available and open source at https://github.com/THGLab/NewtonNet . We also designed a command line interface to facilitate faster implementation by non-programmers. Although the new hydrogen combustion data is currently under review it has been made available at https://github.com/THGLab/H2COMBUSTION_DATA , https://doi.org/10.6084/m9.figshare.19601689 .”
The data availability statement points to a repository record with a DOI (figshare), corresponding to Colavizza category 3. [majority verdict 'yes' (2/4 passes agreed)]
Colavizza, Hrynaszkiewicz, Staden, Whitaker & McGillivray (2020), 'The citation advantage of li · Springer Nature research data policy — Data Availability Statements: standard statement templat · RDA-F3-01M — metadata clearly and explicitly includes the identifier of the data it describes
“answers”— not found in the paper; verdict downgraded
The dataset is described in running prose stating its size and composition, but there is no itemised inventory (section, table, or list) of files or variables. [downgraded to 'no' — no verifiable quote from the paper] [majority verdict 'no' (3/4 passes agreed)]
RDA-F2-01M — 'Rich metadata is provided to allow discovery' (priority Essential) · FsF-F2-01M — F-UJI: 'Metadata includes descriptive core elements to support data findability' · FsF-R1-01MD — F-UJI: 'Metadata specifies the content of the data'
“Although the new hydrogen combustion data is currently under review it has been made available at https://github.com/THGLab/H2COMBUSTION_DATA , https://doi.org/10.6084/m9.figshare.19601689”
The statement offers a route to the data with no precondition (e.g., request, registration, or embargo). [majority verdict 'yes' (2/4 passes agreed)]
RDA-A1.1-01D — 'Data is accessible through a free access protocol' · FsF-A1-01M — F-UJI: 'Metadata contains access level and access conditions of the data' · NSTC Desirable Characteristics of Data Repositories (2022) — 'Free and Easy Access'
Advisory · not in the published score
“answers”— not found in the paper; verdict downgraded
The paper does not apply an explicit access-level label such as 'open access' or 'publicly available' to the data; it only describes the action of making it available. [downgraded to 'no' — no verifiable quote from the paper] [majority verdict 'no' (2/4 passes agreed)]
FsF-A1-01M — F-UJI: 'Metadata contains access level and access conditions of the data' · RDA-A1-01M — metadata contains information to enable the user to get access to the data · COAR Controlled Vocabularies — Access Rights v1.0 (open / embargoed / restricted / metadata-onl
“answers”— not found in the paper; verdict downgraded
The data are computational chemistry results, not human-subject data, and no gatekeeper is named.
NIH Genomic Data Sharing Policy (NOT-OD-14-124) — controlled-access via a Data Access Committee · RDA-A1.2-01D — 'Data is accessible through an access protocol that supports authentication and · NIH DMS Policy Element 5 (NOT-OD-21-014) — Access, Distribution, or Reuse Considerations (conse
“answers”— not found in the paper; verdict downgraded
The paper gives the timing of availability (now) but does not state how long the data will persist, so it is an availability-timing statement only. [downgraded to 'no' — no verifiable quote from the paper]
NIH DMS Plan Element 4 (NOT-OD-21-014) — Data Preservation, Access, and Associated Timelines · NSTC Desirable Characteristics (2022), Organizational Infrastructure: 'Retention Policy' · RDA-A2-01M — 'Metadata is guaranteed to remain available after data is no longer available'
“answers”— not found in the paper; verdict downgraded
No file format is specified for the released data, so no format token of any kind is named.
FsF-R1.3-02D — F-UJI: 'Data is available in a file format recommended by the target research co · RDA-R1.3-02D — data is expressed in a machine-understandable community standard · RDA-I1-01D — data uses a knowledge representation expressed in a standardised format
Advisory · not in the published score
“answers”— not found in the paper; verdict downgraded
No data or metadata community standard (e.g., MIAME, BIDS, an ontology) is named in the paper; only computational methods are described.
RDA-R1.3-01M — 'Metadata complies with a community standard' (priority Essential) · RDA-R1.3-01D — 'Data complies with a community standard' · RDA-I2-01M — '(Meta)data use vocabularies that follow FAIR principles'
“answers”— not found in the paper; verdict downgraded
The paper includes DOIs for external datasets such as MD17 and ANI-1 in the reference list, e.g., 10.1039/C6SC05720A for ANI-1. [downgraded to 'no' — no verifiable quote from the paper]
RDA-I3-01M — '(meta)data include references to other (meta)data' · RDA-I3-03M — 'metadata includes qualified references to other metadata' · FsF-I3-01M — F-UJI: 'Metadata includes links between the data and its related entities'
“answers”— not found in the paper; verdict downgraded
The only licence mentioned is CC BY-NC, which applies to the article, not to the data; no licence is explicitly attached to the data.
RDA-R1.1-01M — 'Metadata includes information about the licence under which the data can be reu · RDA-R1.1-02M — 'Metadata refers to a standard reuse licence' · RDA-R1.1-03M — 'Metadata refers to a machine-understandable reuse licence'
“answers”— not found in the paper; verdict downgraded
No version token or date is given for the dataset; the DOI is not version-suffixed, and no release or snapshot is identified.
DataCite Metadata Schema 4.6 — the 'Version' property · RDA-R1.2-01M — provenance information (which version was used is provenance) · NSTC Desirable Characteristics of Data Repositories (2022) — 'Provenance', 'Retention Policy'
“https://github.com/THGLab/NewtonNet”
The paper provides a machine-resolvable URL to the study's code repository on GitHub. [majority verdict 'yes' (2/4 passes agreed)]
NIH DMS Policy Element 2 (NOT-OD-21-014) — 'Related Tools, Software and/or Code' · FAIR4RS Principles v1.0 (Chue Hong et al., 2022; RDA/FORCE11/ReSA) — FAIR Principles for Resear · FORCE11 Software Citation Principles (Smith, Katz & Niemeyer, 2016, PeerJ CS 2:e86)
“answers”— not found in the paper; verdict downgraded
Award numbers are given, e.g., 5U01GM121667, attached to named funders. [downgraded to 'partial' — no verifiable quote from the paper] [majority verdict 'partial' (2/4 passes agreed)]
DataCite Metadata Schema 4.6 — 'FundingReference' property (funderName, funderIdentifier, award · Crossref Funder Registry — canonical funder identifiers for funding metadata · RDA-F2-01M — rich metadata provided to allow discovery (funding is part of the descriptive reco
Advisory · not in the published score
“answers”— not found in the paper; verdict downgraded
The data production is described in generic terms ('All the calculations are conducted at the ωB97M-V/cc-pVTZ level of theory') without naming specific instruments, kits, or software versions. [downgraded to 'no' — no verifiable quote from the paper] [majority verdict 'no' (3/4 passes agreed)]
RDA-R1.2-01M — 'Metadata includes provenance information according to community- specific standa · FsF-R1.2-01M — F-UJI: 'Metadata includes provenance information about data creation or generati · W3C PROV-O (W3C Recommendation, 2013) — the entity/activity/agent model of provenance
“answers”— not found in the paper; verdict downgraded
No documentation object (README, data dictionary, codebook) is named as accompanying the data, and no variable-definition table appears in the article.
RDA-R1-01M — '(Meta)data are richly described with a plurality of accurate and relevant attribu · FsF-R1-01MD — F-UJI: 'Metadata specifies the content of the data' · NIH DMS Policy Element 3 (NOT-OD-21-014) — Standards (documentation and metadata to accompany t
Calibrated FAIR score — a parallel quality metric, independent of the DataRank citation score. See the full evaluation →
Base Score Contribution
0.736
From this paper's citation signal
Citation Network Contribution
3.0
From 100 citing papers with measurable signal
Ranked by each citer's contribution to N(p) — log1p(Cq) divided by its reference count — out of 100 citers.
National Institute of General Medical Sciences
Grant: 5U01GM121667
U.S. Department of Energy
Grant: DE-AC02-05CH11231
NIGMS NIH HHS
Grant: U01 GM121667
National Institutes of Health
Grant: 5U01GM121667-02
High Accuracy Computational Methods for Biomolecular Nuclear Magnetic Resonance Spectroscopy
National Science Foundation
Grant: 1955643
Reactive and Non-Reactive Force Field Design Guided by Advances in Energy Decomposition Analysis
China Scholarship Council
Fonds Wetenschappelijk Onderzoek
Swiss National Science Foundation
FWCI
7.73
Citation Percentile
1.0%
Citation Trend
Fields of Study
Keywords