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matbench

Matbench: Benchmarks for materials science property prediction

https://github.com/materialsproject/matbench

Science Score: 49.0%

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
    Found 4 DOI reference(s) in README
  • ○
    Academic publication links
  • ✓
    Committers with academic emails
    5 of 26 committers (19.2%) from academic institutions
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (11.6%) to scientific vocabulary

Keywords

benchmark chemistry condensed-matter data-science machine-learning machine-learning-algorithms materials-science physics

Keywords from Contributors

materials-informatics workflows cheminformatics plotly-dash rdkit mesh crystallography sequences interactive mobility
Last synced: 6 months ago · JSON representation

Repository

Matbench: Benchmarks for materials science property prediction

Basic Info
Statistics
  • Stars: 161
  • Watchers: 6
  • Forks: 52
  • Open Issues: 52
  • Releases: 5
Topics
benchmark chemistry condensed-matter data-science machine-learning machine-learning-algorithms materials-science physics
Created almost 5 years ago · Last pushed over 1 year ago
Metadata Files
Readme License Citation

README.md

logo

matbench is an ImageNet for materials science; a set of 13 (with more to come!) curated machine learning tasks for benchmarking and performance testing.

| Tests | Release | |:----------:|:------:| | example workflow | PyPI version |

If you find matbench useful, please consider citing our paper:

Dunn, A., Wang, Q., Ganose, A., Dopp, D., Jain, A. Benchmarking Materials Property Prediction Methods: The Matbench Test Set and Automatminer Reference Algorithm. npj Computational Materials 6, 138 (2020). https://doi.org/10.1038/s41524-020-00406-3

Matbench is pip installable! Install with pip install matbench or see the installation page for more details.

Python versions 3.8+ are supported.

Owner

  • Name: Materials Project
  • Login: materialsproject
  • Kind: organization
  • Email: feedback@materialsproject.org
  • Location: 1 Cyclotron Rd, Berkeley CA 94720

GitHub Events

Total
  • Issues event: 1
  • Watch event: 45
  • Issue comment event: 3
  • Pull request event: 4
  • Fork event: 8
Last Year
  • Issues event: 1
  • Watch event: 45
  • Issue comment event: 3
  • Pull request event: 4
  • Fork event: 8

Committers

Last synced: 9 months ago

All Time
  • Total Commits: 640
  • Total Committers: 26
  • Avg Commits per committer: 24.615
  • Development Distribution Score (DDS): 0.303
Past Year
  • Commits: 0
  • Committers: 0
  • Avg Commits per committer: 0.0
  • Development Distribution Score (DDS): 0.0
Top Committers
Name Email Commits
ardunn a****n@l****v 446
sgbaird s****d@i****m 44
dependabot[bot] 4****] 29
Janosh Riebesell j****l@g****m 27
Patrick Reiser 6****s 23
Hrushikesh Sahasrabuddhe 1****s 19
Matthew Evans g****t@m****e 10
knc6 w****9@g****m 8
AutoML-VM f****d@t****e 5
desmond-molloy-mcl 1****l 3
sadmanomee o****n@g****m 3
Tong t****p@o****m 3
Kevin Maik Jablonka k****a@e****h 2
robinruff u****b@u****n 2
robinruff u****b@u****n 2
ihalage a****a@g****m 2
coGN authors m****n@t****m 2
Pierre-Paul De Breuck p****k@s****e 2
Anubhav Jain a****r@g****m 1
G.J. Cheng c****2@l****m 1
MahamadSalah 4****h 1
MahamadSalah m****6@c****u 1
robinruff r****8@g****m 1
Matthew Horton m****n 1
RokasEl r****4@c****k 1
flihy 9****y 1
Committer Domains (Top 20 + Academic)
cam.ac.uk: 1 case.edu: 1 student.uclouvain.be: 1 tutanota.com: 1 uc2n995.localdomain: 1 uc2n345.localdomain: 1 epfl.ch: 1 tu-dresden.de: 1 ml-evs.science: 1 lbl.gov: 1

Issues and Pull Requests

Last synced: 7 months ago

All Time
  • Total issues: 27
  • Total pull requests: 155
  • Average time to close issues: 10 days
  • Average time to close pull requests: about 2 months
  • Total issue authors: 11
  • Total pull request authors: 21
  • Average comments per issue: 3.56
  • Average comments per pull request: 1.24
  • Merged pull requests: 32
  • Bot issues: 0
  • Bot pull requests: 119
Past Year
  • Issues: 1
  • Pull requests: 4
  • Average time to close issues: N/A
  • Average time to close pull requests: about 12 hours
  • Issue authors: 1
  • Pull request authors: 3
  • Average comments per issue: 3.0
  • Average comments per pull request: 0.25
  • Merged pull requests: 0
  • Bot issues: 0
  • Bot pull requests: 0
View more stats
Top Authors
Issue Authors
  • ardunn (10)
  • sgbaird (5)
  • chao1224 (3)
  • ml-evs (1)
  • Breaddsmall (1)
  • hspark1212 (1)
  • vict0rsch (1)
  • janosh (1)
  • dependabot[bot] (1)
  • pbenner (1)
  • desmond-molloy-mcl (1)
  • hasan-sayeed (1)
Pull Request Authors
  • dependabot[bot] (155)
  • dhw059 (8)
  • PatReis (6)
  • janosh (5)
  • hrushikesh-s (4)
  • ChangwenXu98 (3)
  • desmond-molloy-mcl (3)
  • Alice0416 (2)
  • robinruff (2)
  • ml-evs (2)
  • liuxiaotong15 (2)
  • sadmanomee (2)
  • 0xTong (2)
  • avk256 (1)
  • fc-tud (1)
Top Labels
Issue Labels
code (2) high priority (2) docs (2) new_benchmark (2) dependencies (2)
Pull Request Labels
dependencies (155) new_benchmark (5) docs (3) code (1)

Packages

  • Total packages: 3
  • Total downloads:
    • pypi 325 last-month
  • Total docker downloads: 30
  • Total dependent packages: 3
    (may contain duplicates)
  • Total dependent repositories: 2
    (may contain duplicates)
  • Total versions: 9
  • Total maintainers: 2
proxy.golang.org: github.com/materialsproject/matbench
  • Versions: 2
  • 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
pypi.org: matbench

a machine learning benchmark for materials science

  • Versions: 5
  • Dependent Packages: 3
  • Dependent Repositories: 2
  • Downloads: 325 Last month
  • Docker Downloads: 30
Rankings
Dependent packages count: 2.3%
Docker downloads count: 4.6%
Forks count: 6.8%
Stargazers count: 7.6%
Average: 8.1%
Dependent repos count: 11.6%
Downloads: 15.5%
Maintainers (2)
computron ardunn
Last synced: 7 months ago
conda-forge.org: matbench
  • Versions: 2
  • Dependent Packages: 0
  • Dependent Repositories: 0
Rankings
Forks count: 32.6%
Dependent repos count: 34.0%
Stargazers count: 36.8%
Average: 38.7%
Dependent packages count: 51.2%
Last synced: 6 months ago

Dependencies

.github/workflows/python-package.yml actions
  • actions/checkout v2 composite
  • actions/download-artifact v2 composite
  • actions/setup-python v2 composite
  • actions/upload-artifact v2 composite
.github/workflows/rebuild_website.yml actions
  • EndBug/add-and-commit v7 composite
  • actions/checkout v2 composite
  • actions/setup-python v2 composite