matador

computational-chemistry materials-science python

Score: 15.148557611592702

Last synced: about 10 hours ago
JSON representation

Repository metadata:

⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode materials.

Host: GitHub
URL: https://github.com/ml-evs/matador
Owner: ml-evs
License: mit
Created: 2019-03-25T11:42:14.000Z (about 7 years ago)
Default Branch: master
Last Pushed: 2026-02-01T10:03:05.000Z (5 months ago)
Last Synced: 2026-06-08T16:06:08.258Z (15 days ago)
Topics: computational-chemistry, materials-science, python
Language: Python
Homepage: https://matador-db.readthedocs.io
Size: 40.4 MB
Stars: 35
Watchers: 2
Forks: 20
Open Issues: 47
Metadata Files:
- Readme: README.rst
- Changelog: CHANGELOG.rst
- Contributing: CONTRIBUTING.rst
- License: LICENSE
- Code of conduct: CODE_OF_CONDUCT.md
- Citation: CITATION.cff
- Codeowners: .github/CODEOWNERS

Owner metadata:

Name: Matthew Evans
Login: ml-evs
Email:
Kind: user
Description: Postdoc in comp. matsci. (@modl-uclouvain @Matgenix @Materials-Consortia) and full-stack materials research data (@the-grey-group @datalab-org)
Website: ml-evs.science
Location: Brussels, BE / Norfolk, UK
Twitter: funroll_loops
Company: @modl-uclouvain / @matgenix / @datalab-industries
Icon url: https://avatars.githubusercontent.com/u/7916000?u=07af232210e2b9236275eafda17d6cd0448240d7&v=4
Repositories: 86
Last Synced at: 2024-06-11T15:58:49.123Z
Profile URL: https://github.com/ml-evs

GitHub Events

Total

Create event: 23
Delete event: 22
Issue comment event: 20
Pull request event: 44
Push event: 21
Release event: 3
Watch event: 4
Total: 137

Last Year

Create event: 4
Delete event: 6
Issue comment event: 3
Pull request event: 14
Watch event: 1
Total: 28

Committers metadata

Last synced: 2 days ago

Total Commits: 2,727
Total Committers: 9
Avg Commits per committer: 303.0
Development Distribution Score (DDS): 0.023

Commits in past year: 0
Committers in past year: 0
Avg Commits per committer in past year: 0.0
Development Distribution Score (DDS) in past year: 0.0

Name	Email	Commits
Matthew Evans	m**8@c**k	2664
Matthew Evans	m**2@g**m	20
Angela Harper	a**1@c**k	14
dependabot[bot]	4****]	13
JordD04	J**l@h**m	11
matthew	m**w@c**k	2
Arfon Smith	a****n	1
Matthew Evans	m**8@l**)	1
Angela Harper	a**1@c**k	1

Issue and Pull Request metadata

Last synced: 5 months ago

Total issues: 13
Total pull requests: 168
Average time to close issues: 4 months
Average time to close pull requests: 7 months
Total issue authors: 5
Total pull request authors: 6
Average comments per issue: 0.77
Average comments per pull request: 0.99
Merged pull request: 33
Bot issues: 1
Bot pull requests: 129

Past year issues: 0
Past year pull requests: 39
Past year average time to close issues: N/A
Past year average time to close pull requests: about 2 months
Past year issue authors: 0
Past year pull request authors: 2
Past year average comments per issue: 0
Past year average comments per pull request: 0.18
Past year merged pull request: 2
Past year bot issues: 0
Past year bot pull requests: 37

More stats: https://issues.ecosyste.ms/repositories/lookup?url=https://github.com/ml-evs/matador

Top Issue Authors

ml-evs (8)
MJCliffe (2)
benedictsaunders (1)
janosh (1)
dependabot[bot] (1)

Top Pull Request Authors

dependabot[bot] (129)
ml-evs (31)
harpaf13 (3)
JordD04 (2)
dquigley533 (2)
JPDarby (1)

Top Issue Labels

bug (6)
suggestion (2)
dependency_updates (2)
build (1)

Top Pull Request Labels

dependency_updates (116)
CI (10)
enhancement (3)
bug (1)

Package metadata

Total packages: 2
Total downloads:
- pypi: 5,135 last-month
Total dependent packages: 0 (may contain duplicates)
Total dependent repositories: 3 (may contain duplicates)
Total versions: 23
Total maintainers: 1

proxy.golang.org: github.com/ml-evs/matador

Homepage:
Documentation: https://pkg.go.dev/github.com/ml-evs/matador#section-documentation
Licenses: mit
Latest release: v0.11.2 (published about 1 year ago)
Last Synced: 2026-06-20T22:00:56.406Z (2 days ago)
Versions: 5
Dependent Packages: 0
Dependent Repositories: 0
Rankings:
- Dependent packages count: 5.459%
- Average: 5.642%
- Dependent repos count: 5.825%

pypi.org: matador-db

MATerial and Atomic Databases Of Refined structures.

Homepage: https://github.com/ml-evs/matador
Documentation: https://matador-db.readthedocs.io/
Licenses: MIT
Latest release: 0.11.2 (published about 1 year ago)
Last Synced: 2026-06-20T22:00:54.280Z (2 days ago)
Versions: 18
Dependent Packages: 0
Dependent Repositories: 3
Downloads: 5,135 Last month
Rankings:
- Forks count: 8.546%
- Dependent repos count: 8.945%
- Dependent packages count: 10.118%
- Average: 11.651%
- Stargazers count: 11.755%
- Downloads: 18.893%
Maintainers (1)
- ml-evs

Dependencies

.github/workflows/ci.yml actions

actions/checkout v3 composite
actions/setup-python v4 composite
codecov/codecov-action v3 composite

matador/plugins/qmpy_interface/extra_requirements.txt pypi

numpy *
pymongo *
qmpy *
tqdm *

requirements/dev_requirements.txt pypi

pre-commit * development

requirements/docs_requirements.txt pypi

ipykernel *
jinja2 *
nbsphinx *
sphinx *
sphinx-argparse *
sphinx-rtd-theme *
sphinxcontrib-napoleon *

requirements/optional_requirements.txt pypi

ascii_graph *
ase *
networkx *
pymatgen >=2022,<2023
requests *
seaborn >=0.10
statsmodels >=0.11

requirements/requirements.txt pypi

matplotlib >=3.0,<3.6
numba >=0.55<1
numpy >=1.20
psutil *
pymongo *
python-ternary *
pyyaml *
scipy *
seekpath *
spglib >=1.16,<3
tqdm *

requirements/test_requirements.txt pypi

codecov * test
coverage * test
mongomock * test
nbval * test
pytest * test
pytest-cov * test

requirements/viz_requirements.txt pypi

ase *
nglview *

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