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matminer

Data mining for materials science

https://github.com/hackingmaterials/matminer

Science Score: 36.0%

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

  • ○
    CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ○
    DOI references
  • ○
    Academic publication links
  • ✓
    Committers with academic emails
    20 of 58 committers (34.5%) from academic institutions
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (12.1%) to scientific vocabulary

Keywords

condensed-matter data-mining machine-learning materials-science matminer

Keywords from Contributors

materials-informatics materials chemistry computational-chemistry mobility seebeck thermoelectric quantum-chemistry physics vasp
Last synced: 6 months ago · JSON representation

Repository

Data mining for materials science

Basic Info
Statistics
  • Stars: 543
  • Watchers: 25
  • Forks: 202
  • Open Issues: 30
  • Releases: 69
Topics
condensed-matter data-mining machine-learning materials-science matminer
Created over 10 years ago · Last pushed 7 months ago
Metadata Files
Readme Changelog Contributing License

README.md

matminer

matminer is a library for performing data mining in the field of materials science.

matminer supports Python 3.9+.

Related packages:

  • If you like matminer, you might also try automatminer.
  • If you are interested in furthering development of datasets in matminer, you may be interested in matbench.
  • If you are looking for figrecipes, it is now in its own repo.

Citation

If you find matminer useful, please encourage its development by citing the following paper in your research: Ward, L., Dunn, A., Faghaninia, A., Zimmermann, N. E. R., Bajaj, S., Wang, Q., Montoya, J. H., Chen, J., Bystrom, K., Dylla, M., Chard, K., Asta, M., Persson, K., Snyder, G. J., Foster, I., Jain, A., Matminer: An open source toolkit for materials data mining. Comput. Mater. Sci. 152, 60-69 (2018).

Matminer helps users apply methods and data sets developed by the community. Please also cite the original sources, as this will add clarity to your article and credit the original authors:

  • If you use one or more datasets accessed through matminer, check the dataset metadata info for relevant citations on the original datasets.
  • If you use one or more data retrieval methods, check citations() method of the data retrieval class. This method will provide a list of BibTeX-formatted citations for that featurizer, making it easy to keep track of and cite the original publications.
  • If you use one or more featurizers, please take advantage of the citations() function present for every featurizer in matminer.

Owner

  • Name: Hacking Materials Research Group
  • Login: hackingmaterials
  • Kind: organization
  • Location: Lawrence Berkeley National Lab, CA

GitHub Events

Total
  • Watch event: 58
  • Delete event: 103
  • Push event: 34
  • Fork event: 10
  • Create event: 97
Last Year
  • Watch event: 58
  • Delete event: 103
  • Push event: 34
  • Fork event: 10
  • Create event: 97

Committers

Last synced: over 2 years ago

All Time
  • Total Commits: 3,425
  • Total Committers: 58
  • Avg Commits per committer: 59.052
  • Development Distribution Score (DDS): 0.769
Past Year
  • Commits: 66
  • Committers: 4
  • Avg Commits per committer: 16.5
  • Development Distribution Score (DDS): 0.47
Top Committers
Name Email Commits
ardunn a****n@l****v 790
Saurabh Bajaj s****2@g****m 577
Anubhav Jain a****n@l****v 383
Alireza a****a@w****u 166
Logan Ward w****t@g****m 145
nisse3000 n****n@t****e 129
Anubhav Jain a****r@g****m 114
Daniel Dopp d****p@l****v 111
Qi Wang w****1@g****m 106
dependabot[bot] 4****] 77
montoyjh m****h@g****m 75
Alex Ganose a****e@g****m 68
Samy Cherfaoui s****i@b****u 63
Saurabh Bajaj s****2 57
JFChen3 j****5@r****u 57
Kiran Mathew k****w@l****v 53
Alireza a****a@g****m 49
Shyue Ping Ong s****p@g****m 46
Nicholas Wagner m****r@g****m 46
dependabot-preview[bot] 2****] 44
Patrick Huck p****k@l****v 35
kyle k****m@b****u 29
Maxwell Dylla 2****d@g****m 24
Koki Muraoka k****a@g****m 20
Maxwell Dylla m****0@u****u 19
Matthew Evans g****t@m****e 19
Janosh Riebesell j****l@g****m 18
__sp__ o****p@e****u 9
Evgeny Blokhin eb@t****o 8
Jason Frost j****t@l****v 8
and 28 more...
Committer Domains (Top 20 + Academic)
lbl.gov: 7 berkeley.edu: 2 wustl.edu: 1 tuhh.de: 1 rice.edu: 1 u.northwestern.edu: 1 ml-evs.science: 1 eng.ucsd.edu: 1 tilde.pro: 1 uky.edu: 1 ucsd.edu: 1 materialsproject.org: 1 cornell.edu: 1 angel.co: 1 aalto.fi: 1 alum.mit.edu: 1 inl.gov: 1 umich.edu: 1 epfl.ch: 1 localhost.localdomain: 1

Issues and Pull Requests

Last synced: 6 months ago

All Time
  • Total issues: 27
  • Total pull requests: 128
  • Average time to close issues: 5 months
  • Average time to close pull requests: about 1 month
  • Total issue authors: 16
  • Total pull request authors: 15
  • Average comments per issue: 2.19
  • Average comments per pull request: 1.13
  • Merged pull requests: 54
  • Bot issues: 0
  • Bot pull requests: 72
Past Year
  • Issues: 4
  • Pull requests: 9
  • Average time to close issues: 9 days
  • Average time to close pull requests: 17 days
  • Issue authors: 4
  • Pull request authors: 6
  • Average comments per issue: 2.0
  • Average comments per pull request: 2.22
  • Merged pull requests: 8
  • Bot issues: 0
  • Bot pull requests: 0
View more stats
Top Authors
Issue Authors
  • ml-evs (5)
  • ardunn (5)
  • sgbaird (3)
  • KwamiAldo (1)
  • AlexHeustc (1)
  • CompRhys (1)
  • Pangcheng520 (1)
  • Youjin1985 (1)
  • JaGeo (1)
  • FaithfulFighter (1)
  • gbrunin (1)
  • janosh (1)
  • chaserlight19942007 (1)
  • pbenner (1)
  • kaueltzen (1)
Pull Request Authors
  • dependabot[bot] (72)
  • ml-evs (25)
  • tschaume (23)
  • gbrunin (8)
  • DanielYang59 (5)
  • zzccchen (4)
  • janosh (3)
  • JaGeo (2)
  • esoteric-ephemera (2)
  • kaueltzen (2)
  • afonari (1)
  • jacksund (1)
  • oslopanda (1)
  • ardunn (1)
  • sgbaird (1)
Top Labels
Issue Labels
living document (2) dependencies (2)
Pull Request Labels
dependencies (74) release:minor (6)

Packages

  • Total packages: 4
  • Total downloads:
    • pypi 363,373 last-month
  • Total docker downloads: 42
  • Total dependent packages: 27
    (may contain duplicates)
  • Total dependent repositories: 71
    (may contain duplicates)
  • Total versions: 155
  • Total maintainers: 3
pypi.org: matminer

matminer is a library that contains tools for data mining in Materials Science

  • Versions: 71
  • Dependent Packages: 19
  • Dependent Repositories: 66
  • Downloads: 363,373 Last month
  • Docker Downloads: 42
Rankings
Dependent packages count: 0.8%
Dependent repos count: 1.8%
Downloads: 2.3%
Average: 2.7%
Stargazers count: 3.2%
Forks count: 3.7%
Docker downloads count: 4.1%
Maintainers (2)
computron Patrick.Huck
Last synced: 6 months ago
proxy.golang.org: github.com/hackingmaterials/matminer
  • Versions: 69
  • Dependent Packages: 0
  • Dependent Repositories: 0
Rankings
Dependent packages count: 5.5%
Average: 5.6%
Dependent repos count: 5.8%
Last synced: 6 months ago
conda-forge.org: matminer

matminer is a library for performing data mining in the field of materials science.

  • Versions: 14
  • Dependent Packages: 7
  • Dependent Repositories: 5
Rankings
Dependent packages count: 8.0%
Forks count: 13.5%
Average: 14.1%
Dependent repos count: 14.7%
Stargazers count: 20.1%
Last synced: 6 months ago
spack.io: py-matminer

Matminer is a library for performing data mining in the field of materials science.

  • Versions: 1
  • Dependent Packages: 1
  • Dependent Repositories: 0
Rankings
Dependent repos count: 0.0%
Forks count: 7.9%
Stargazers count: 11.8%
Average: 19.2%
Dependent packages count: 57.3%
Maintainers (1)
meyersbs
Last synced: 6 months ago

Dependencies

.github/workflows/release.yml actions
  • actions/checkout v3 composite
  • actions/setup-python v4 composite
  • pypa/gh-action-pypi-publish release/v1.5 composite
.github/workflows/test.yml actions
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  • actions/setup-python v4 composite
  • pypa/gh-action-pypi-publish release/v1.5 composite
  • rymndhng/release-on-push-action v0.25.0 composite
  • supercharge/mongodb-github-action 1.6.0 composite
.github/workflows/upgrade-dependencies.yml actions
  • actions/checkout v3 composite
  • actions/setup-python v4 composite
requirements/macos-latest_py3.10.txt pypi
  • certifi ==2022.9.24 test
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  • contourpy ==1.0.6 test
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  • dnspython ==2.2.1 test
  • emmet-core ==0.38.9 test
  • fonttools ==4.38.0 test
  • future ==0.18.2 test
  • idna ==3.4 test
  • joblib ==1.2.0 test
  • kiwisolver ==1.4.4 test
  • latexcodec ==2.0.1 test
  • matplotlib ==3.6.2 test
  • monty ==2022.9.9 test
  • mp-api ==0.29.4 test
  • mpmath ==1.2.1 test
  • msgpack ==1.0.4 test
  • networkx ==2.8.8 test
  • numpy ==1.23.4 test
  • packaging ==21.3 test
  • palettable ==3.3.0 test
  • pandas ==1.5.1 test
  • pillow ==9.3.0 test
  • plotly ==5.11.0 test
  • pybtex ==0.24.0 test
  • pydantic ==1.10.2 test
  • pymatgen ==2022.11.7 test
  • pymongo ==4.3.2 test
  • pyparsing ==3.0.9 test
  • python-dateutil ==2.8.2 test
  • pytz ==2022.6 test
  • pyyaml ==6.0 test
  • requests ==2.28.1 test
  • ruamel-yaml ==0.17.21 test
  • ruamel-yaml-clib ==0.2.7 test
  • scikit-learn ==1.1.3 test
  • scipy ==1.9.3 test
  • six ==1.16.0 test
  • spglib ==2.0.2 test
  • sympy ==1.11.1 test
  • tabulate ==0.9.0 test
  • tenacity ==8.1.0 test
  • threadpoolctl ==3.1.0 test
  • tqdm ==4.64.1 test
  • typing-extensions ==4.4.0 test
  • uncertainties ==3.1.7 test
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requirements/macos-latest_py3.10_extras.txt pypi
  • 114 dependencies
requirements/macos-latest_py3.8.txt pypi
  • certifi ==2022.9.24 test
  • charset-normalizer ==2.1.1 test
  • contourpy ==1.0.6 test
  • cycler ==0.11.0 test
  • dnspython ==2.2.1 test
  • emmet-core ==0.38.9 test
  • fonttools ==4.38.0 test
  • future ==0.18.2 test
  • idna ==3.4 test
  • joblib ==1.2.0 test
  • kiwisolver ==1.4.4 test
  • latexcodec ==2.0.1 test
  • matplotlib ==3.6.2 test
  • monty ==2022.9.9 test
  • mp-api ==0.29.4 test
  • mpmath ==1.2.1 test
  • msgpack ==1.0.4 test
  • networkx ==2.8.8 test
  • numpy ==1.23.4 test
  • packaging ==21.3 test
  • palettable ==3.3.0 test
  • pandas ==1.5.1 test
  • pillow ==9.3.0 test
  • plotly ==5.11.0 test
  • pybtex ==0.24.0 test
  • pydantic ==1.10.2 test
  • pymatgen ==2022.11.7 test
  • pymongo ==4.3.2 test
  • pyparsing ==3.0.9 test
  • python-dateutil ==2.8.2 test
  • pytz ==2022.6 test
  • pyyaml ==6.0 test
  • requests ==2.28.1 test
  • ruamel-yaml ==0.17.21 test
  • ruamel-yaml-clib ==0.2.7 test
  • scikit-learn ==1.1.3 test
  • scipy ==1.9.3 test
  • six ==1.16.0 test
  • spglib ==2.0.2 test
  • sympy ==1.11.1 test
  • tabulate ==0.9.0 test
  • tenacity ==8.1.0 test
  • threadpoolctl ==3.1.0 test
  • tqdm ==4.64.1 test
  • typing-extensions ==4.4.0 test
  • uncertainties ==3.1.7 test
  • urllib3 ==1.26.12 test
requirements/macos-latest_py3.8_extras.txt pypi
  • 117 dependencies
requirements/macos-latest_py3.9.txt pypi
  • certifi ==2022.9.24 test
  • charset-normalizer ==2.1.1 test
  • contourpy ==1.0.6 test
  • cycler ==0.11.0 test
  • dnspython ==2.2.1 test
  • emmet-core ==0.38.9 test
  • fonttools ==4.38.0 test
  • future ==0.18.2 test
  • idna ==3.4 test
  • joblib ==1.2.0 test
  • kiwisolver ==1.4.4 test
  • latexcodec ==2.0.1 test
  • matplotlib ==3.6.2 test
  • monty ==2022.9.9 test
  • mp-api ==0.29.4 test
  • mpmath ==1.2.1 test
  • msgpack ==1.0.4 test
  • networkx ==2.8.8 test
  • numpy ==1.23.4 test
  • packaging ==21.3 test
  • palettable ==3.3.0 test
  • pandas ==1.5.1 test
  • pillow ==9.3.0 test
  • plotly ==5.11.0 test
  • pybtex ==0.24.0 test
  • pydantic ==1.10.2 test
  • pymatgen ==2022.11.7 test
  • pymongo ==4.3.2 test
  • pyparsing ==3.0.9 test
  • python-dateutil ==2.8.2 test
  • pytz ==2022.6 test
  • pyyaml ==6.0 test
  • requests ==2.28.1 test
  • ruamel-yaml ==0.17.21 test
  • ruamel-yaml-clib ==0.2.7 test
  • scikit-learn ==1.1.3 test
  • scipy ==1.9.3 test
  • six ==1.16.0 test
  • spglib ==2.0.2 test
  • sympy ==1.11.1 test
  • tabulate ==0.9.0 test
  • tenacity ==8.1.0 test
  • threadpoolctl ==3.1.0 test
  • tqdm ==4.64.1 test
  • typing-extensions ==4.4.0 test
  • uncertainties ==3.1.7 test
  • urllib3 ==1.26.12 test
requirements/macos-latest_py3.9_extras.txt pypi
  • 116 dependencies
requirements/ubuntu-latest_py3.10.txt pypi
  • certifi ==2022.9.24 test
  • charset-normalizer ==2.1.1 test
  • contourpy ==1.0.6 test
  • cycler ==0.11.0 test
  • dnspython ==2.2.1 test
  • emmet-core ==0.38.9 test
  • fonttools ==4.38.0 test
  • future ==0.18.2 test
  • idna ==3.4 test
  • joblib ==1.2.0 test
  • kiwisolver ==1.4.4 test
  • latexcodec ==2.0.1 test
  • matplotlib ==3.6.2 test
  • monty ==2022.9.9 test
  • mp-api ==0.29.4 test
  • mpmath ==1.2.1 test
  • msgpack ==1.0.4 test
  • networkx ==2.8.8 test
  • numpy ==1.23.4 test
  • packaging ==21.3 test
  • palettable ==3.3.0 test
  • pandas ==1.5.1 test
  • pillow ==9.3.0 test
  • plotly ==5.11.0 test
  • pybtex ==0.24.0 test
  • pydantic ==1.10.2 test
  • pymatgen ==2022.11.7 test
  • pymongo ==4.3.2 test
  • pyparsing ==3.0.9 test
  • python-dateutil ==2.8.2 test
  • pytz ==2022.6 test
  • pyyaml ==6.0 test
  • requests ==2.28.1 test
  • ruamel-yaml ==0.17.21 test
  • ruamel-yaml-clib ==0.2.7 test
  • scikit-learn ==1.1.3 test
  • scipy ==1.9.3 test
  • six ==1.16.0 test
  • spglib ==2.0.2 test
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requirements/ubuntu-latest_py3.10_extras.txt pypi
  • 114 dependencies
requirements/ubuntu-latest_py3.8.txt pypi
  • certifi ==2022.9.24 test
  • charset-normalizer ==2.1.1 test
  • contourpy ==1.0.6 test
  • cycler ==0.11.0 test
  • dnspython ==2.2.1 test
  • emmet-core ==0.38.9 test
  • fonttools ==4.38.0 test
  • future ==0.18.2 test
  • idna ==3.4 test
  • joblib ==1.2.0 test
  • kiwisolver ==1.4.4 test
  • latexcodec ==2.0.1 test
  • matplotlib ==3.6.2 test
  • monty ==2022.9.9 test
  • mp-api ==0.29.4 test
  • mpmath ==1.2.1 test
  • msgpack ==1.0.4 test
  • networkx ==2.8.8 test
  • numpy ==1.23.4 test
  • packaging ==21.3 test
  • palettable ==3.3.0 test
  • pandas ==1.5.1 test
  • pillow ==9.3.0 test
  • plotly ==5.11.0 test
  • pybtex ==0.24.0 test
  • pydantic ==1.10.2 test
  • pymatgen ==2022.11.7 test
  • pymongo ==4.3.2 test
  • pyparsing ==3.0.9 test
  • python-dateutil ==2.8.2 test
  • pytz ==2022.6 test
  • pyyaml ==6.0 test
  • requests ==2.28.1 test
  • ruamel-yaml ==0.17.21 test
  • ruamel-yaml-clib ==0.2.7 test
  • scikit-learn ==1.1.3 test
  • scipy ==1.9.3 test
  • six ==1.16.0 test
  • spglib ==2.0.2 test
  • sympy ==1.11.1 test
  • tabulate ==0.9.0 test
  • tenacity ==8.1.0 test
  • threadpoolctl ==3.1.0 test
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requirements/ubuntu-latest_py3.8_extras.txt pypi
  • 117 dependencies
requirements/ubuntu-latest_py3.9.txt pypi
  • certifi ==2022.9.24 test
  • charset-normalizer ==2.1.1 test
  • contourpy ==1.0.6 test
  • cycler ==0.11.0 test
  • dnspython ==2.2.1 test
  • emmet-core ==0.38.9 test
  • fonttools ==4.38.0 test
  • future ==0.18.2 test
  • idna ==3.4 test
  • joblib ==1.2.0 test
  • kiwisolver ==1.4.4 test
  • latexcodec ==2.0.1 test
  • matplotlib ==3.6.2 test
  • monty ==2022.9.9 test
  • mp-api ==0.29.4 test
  • mpmath ==1.2.1 test
  • msgpack ==1.0.4 test
  • networkx ==2.8.8 test
  • numpy ==1.23.4 test
  • packaging ==21.3 test
  • palettable ==3.3.0 test
  • pandas ==1.5.1 test
  • pillow ==9.3.0 test
  • plotly ==5.11.0 test
  • pybtex ==0.24.0 test
  • pydantic ==1.10.2 test
  • pymatgen ==2022.11.7 test
  • pymongo ==4.3.2 test
  • pyparsing ==3.0.9 test
  • python-dateutil ==2.8.2 test
  • pytz ==2022.6 test
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  • requests ==2.28.1 test
  • ruamel-yaml ==0.17.21 test
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  • scipy ==1.9.3 test
  • six ==1.16.0 test
  • spglib ==2.0.2 test
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  • threadpoolctl ==3.1.0 test
  • tqdm ==4.64.1 test
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  • uncertainties ==3.1.7 test
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requirements/ubuntu-latest_py3.9_extras.txt pypi
  • 116 dependencies
setup.py pypi
  • future *
  • monty *
  • numpy >=1.20.1
  • pandas *
  • pymatgen *
  • pymongo *
  • requests *
  • scikit_learn *
  • sympy *
  • tqdm *
pyproject.toml pypi