kinisi
kinisi: Bayesian analysis of mass transport from molecular dynamics simulations - Published in JOSS (2024)
Science Score: 59.0%
This score indicates how likely this project is to be science-related based on various indicators:
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○CITATION.cff file
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✓codemeta.json file
Found codemeta.json file -
✓.zenodo.json file
Found .zenodo.json file -
✓DOI references
Found 3 DOI reference(s) in README -
✓Academic publication links
Links to: joss.theoj.org -
✓Committers with academic emails
2 of 7 committers (28.6%) from academic institutions -
○Institutional organization owner
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○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (10.8%) to scientific vocabulary
Keywords
Scientific Fields
Repository
A Python package for estimating diffusion properties from molecular dynamics simulations.
Basic Info
- Host: GitHub
- Owner: kinisi-dev
- License: mit
- Language: Python
- Default Branch: main
- Homepage: https://kinisi.readthedocs.io
- Size: 162 MB
Statistics
- Stars: 73
- Watchers: 5
- Forks: 12
- Open Issues: 7
- Releases: 35
Topics
Metadata Files
README.md
Pronunciation: kee-nee-see
kinisi is an open-source package focussed on accurately quantifying the uncertainty in atomic and molecular displacements, and using this to more completely understand diffusion in materials.
Installation
kinisi is available from the PyPI repository so can be installed using pip or alternatively clone this repository and install the latest development build with the commands below.
pip install .
Contributing
If you would like to contribute to kinisi, have a look at the CONTRIBUTING.md that outlines the different ways to help out.
Owner
- Name: kinisi
- Login: kinisi-dev
- Kind: organization
- Repositories: 1
- Profile: https://github.com/kinisi-dev
GitHub Events
Total
- Create event: 21
- Release event: 1
- Issues event: 29
- Watch event: 2
- Delete event: 20
- Member event: 2
- Issue comment event: 55
- Push event: 113
- Pull request review comment event: 65
- Pull request review event: 44
- Pull request event: 42
Last Year
- Create event: 21
- Release event: 1
- Issues event: 29
- Watch event: 2
- Delete event: 20
- Member event: 2
- Issue comment event: 55
- Push event: 113
- Pull request review comment event: 65
- Pull request review event: 44
- Pull request event: 42
Committers
Last synced: 5 months ago
Top Committers
| Name | Commits | |
|---|---|---|
| Andrew McCluskey | a****y@e****u | 681 |
| Andrew McCluskey | a****y@d****k | 155 |
| jd15489 | 7****9 | 103 |
| Benjamin Morgan | b****2@g****m | 24 |
| alexquires | a****s@g****m | 14 |
| Harry-Rich | b****4@b****k | 6 |
| Bonan Zhu | 3****n | 1 |
Committer Domains (Top 20 + Academic)
Issues and Pull Requests
Last synced: 4 months ago
All Time
- Total issues: 25
- Total pull requests: 40
- Average time to close issues: about 1 month
- Average time to close pull requests: about 6 hours
- Total issue authors: 5
- Total pull request authors: 5
- Average comments per issue: 0.76
- Average comments per pull request: 0.95
- Merged pull requests: 19
- Bot issues: 0
- Bot pull requests: 0
Past Year
- Issues: 25
- Pull requests: 40
- Average time to close issues: about 1 month
- Average time to close pull requests: about 6 hours
- Issue authors: 5
- Pull request authors: 5
- Average comments per issue: 0.76
- Average comments per pull request: 0.95
- Merged pull requests: 19
- Bot issues: 0
- Bot pull requests: 0
Top Authors
Issue Authors
- arm61 (18)
- osoulas (2)
- PythonFZ (2)
- jd15489 (2)
- Harry-Rich (1)
Pull Request Authors
- arm61 (20)
- Harry-Rich (11)
- jd15489 (5)
- osoulas (2)
- BaerCMI (2)
Top Labels
Issue Labels
Pull Request Labels
Dependencies
- actions/checkout v2 composite
- actions/setup-python v2 composite
- paambaati/codeclimate-action v2.7.5 composite
- actions/checkout master composite
- actions/setup-python v2 composite
- pypa/gh-action-pypi-publish release/v1 composite
- numpy *
- scikit-learn *
- scipy >=1.9.3
- tqdm *
- uravu >=1.2.9
- actions/checkout v3 composite
- actions/upload-artifact v1 composite
- openjournals/openjournals-draft-action master composite