atomrdf

atomRDF is a python tool for ontology-based creation, manipulation, and querying of structures. atomRDF uses the Computational Material Sample Ontology (CMSO).

https://github.com/pyscal/atomrdf

Science Score: 67.0%

This score indicates how likely this project is to be science-related based on various indicators:

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CITATION.cff file
Found CITATION.cff file
✓
codemeta.json file
Found codemeta.json file
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.zenodo.json file
Found .zenodo.json file
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DOI references
Found 3 DOI reference(s) in README
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Academic publication links
Links to: zenodo.org
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Committers with academic emails
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Institutional organization owner
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JOSS paper metadata
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Scientific vocabulary similarity
Low similarity (7.4%) to scientific vocabulary

Keywords

atomic-simulation atomic-structures computational-materials-science ontology rdm research-data-management

Last synced: 6 months ago · JSON representation ·

Repository

atomRDF is a python tool for ontology-based creation, manipulation, and querying of structures. atomRDF uses the Computational Material Sample Ontology (CMSO).

Basic Info

Host: GitHub
Owner: pyscal
License: mit
Language: Jupyter Notebook
Default Branch: main
Homepage: https://atomrdf.pyscal.org
Size: 15.9 MB

Statistics

Stars: 9
Watchers: 1
Forks: 1
Open Issues: 16
Releases: 33

Topics

atomic-simulation atomic-structures computational-materials-science ontology rdm research-data-management

Created about 3 years ago · Last pushed 6 months ago

Metadata Files

Readme License Citation

README.md

atomRDF

[!NOTE] atomRDF was previously called pyscal-rdf.

PyPI - Python Version

atomRDF is a python tool for ontology-based creation, manipulation, and quering of structures. atomRDF uses the Computational Material Sample Ontology (CMSO).

The package is currently under activate development and could be unstable .

More details coming soon...

Acknowledgements

This work is supported by the NFDI-Matwerk consortia.

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI 38/1 – project number 460247524

Owner

Name: pyscal
Login: pyscal
Kind: organization

Repositories: 2
Profile: https://github.com/pyscal

Citation (CITATION.cff)

cff-version: 1.2.0
title: atomRDF, python tool for ontology-based creation, manipulation, and quering of atomic structures.
message: >-
  If you use this software, please cite it using the
  metadata from this file. Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) 
  under the National Research Data Infrastructure – NFDI 38/1 – project number 460247524
authors:
- given-names: Sarath
  family-names: Menon
  affiliation: Max-Planck-Institut für Eisenforschung GmbH
  orcid: 'https://orcid.org/0000-0002-6776-1213'
- given-names: Abril
  family-names: Azocar Guzman
  affiliation: Institute for Advanced Simulations – Materials Data Science and Informatics (IAS-9), Forschungszentrum Jülich GmbH
  orcid: 'https://orcid.org/0000-0001-7564-7990'
date-released: '2024-02-15'
doi: 10.5281/zenodo.8146527
url: 'https://atomrdf.pyscal.org'
license: "MIT"
repository-code: https://github.com/pyscal/atomRDF
type: software
version: 0.10.2

GitHub Events

Total

Issues event: 5
Watch event: 3
Delete event: 14
Issue comment event: 12
Push event: 34
Pull request event: 19
Create event: 10

Last Year

Issues event: 5
Watch event: 3
Delete event: 14
Issue comment event: 12
Push event: 34
Pull request event: 19
Create event: 10

Committers

Last synced: 12 months ago

All Time

Total Commits: 1,065
Total Committers: 4
Avg Commits per committer: 266.25
Development Distribution Score (DDS): 0.006

Past Year

Commits: 668
Committers: 4
Avg Commits per committer: 167.0
Development Distribution Score (DDS): 0.007

Top Committers

Name	Email	Commits
Sarath Menon	s**n@m**g	1,059
Abril Azocar Guzman	a**n@g**m	3
Sam Dareska	3****a	2
Ninad	b**b@g**m	1

Committer Domains (Top 20 + Academic)

mailbox.org: 1

Issues and Pull Requests

Last synced: 6 months ago

All Time

Total issues: 26
Total pull requests: 71
Average time to close issues: about 1 month
Average time to close pull requests: about 2 hours
Total issue authors: 5
Total pull request authors: 3
Average comments per issue: 0.31
Average comments per pull request: 0.17
Merged pull requests: 61
Bot issues: 0
Bot pull requests: 0

Past Year

Issues: 4
Pull requests: 10
Average time to close issues: N/A
Average time to close pull requests: about 18 hours
Issue authors: 1
Pull request authors: 2
Average comments per issue: 0.0
Average comments per pull request: 0.4
Merged pull requests: 6
Bot issues: 0
Bot pull requests: 0

View more stats

Top Authors

Issue Authors

srmnitc (12)
sepidbgh (6)
NinadBhat (4)
aazocar (3)
GuojingHuangAa (1)

Pull Request Authors

srmnitc (69)
samwaseda (1)
NinadBhat (1)

Top Labels

Issue Labels

enhancement (3) bug (2) documentation (1) code-change (1)

Pull Request Labels

Packages

Total packages: 1
Total downloads:
- pypi 49 last-month

Total dependent packages: 1
Total dependent repositories: 0
Total versions: 15
Total maintainers: 1

pypi.org: atomrdf

Ontology based structural manipulation and quering

Homepage: https://pyscal.org
Documentation: https://atomrdf.readthedocs.io/
License: mit
Latest release: 0.9.17
published over 1 year ago

Versions: 15
Dependent Packages: 1
Dependent Repositories: 0
Downloads: 49 Last month

Rankings

Dependent packages count: 9.5%

Average: 36.3%

Dependent repos count: 63.0%

Maintainers (1)

srmnitc

Last synced: 6 months ago

Dependencies

.github/workflows/testing.yml actions

actions/checkout v2 composite
conda-incubator/setup-miniconda v2 composite

setup.py pypi

ase *
numpy *
rdflib *

.github/workflows/deploy.yml actions

actions/checkout v2 composite
actions/setup-python v2 composite
pypa/gh-action-pypi-publish master composite

requirements.txt pypi

ase *
graphviz *
ipycytoscape *
networkx *
numpy *
owlready2 *
pandas *
pyscal3 *
pyyaml *
rdflib *
rdflib-sqlalchemy *
spglib *
sqlalchemy <2.0.0

.binder/environment.yml pypi

environment.yml pypi