https://github.com/becksteinlab/numkit
Numerical first aid kit (with numpy/scipy).
Science Score: 36.0%
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
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○Academic publication links
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✓Committers with academic emails
1 of 6 committers (16.7%) from academic institutions -
○Institutional organization owner
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○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (12.9%) to scientific vocabulary
Keywords
gromacswrapper
python
science
Keywords from Contributors
gromacs
molecular-dynamics
molecular-simulation
molecular-dynamics-simulation
computational-chemistry
mdanalysis
trajectory-analysis
free-energy
Last synced: 6 months ago
·
JSON representation
Repository
Numerical first aid kit (with numpy/scipy).
Basic Info
- Host: GitHub
- Owner: Becksteinlab
- License: other
- Language: Python
- Default Branch: main
- Homepage: https://numkit.readthedocs.io
- Size: 303 KB
Statistics
- Stars: 2
- Watchers: 5
- Forks: 2
- Open Issues: 1
- Releases: 9
Topics
gromacswrapper
python
science
Created almost 9 years ago
· Last pushed over 1 year ago
Metadata Files
Readme
Changelog
License
Authors
README.rst
======
numkit
======
|docs| |build| |cov| |anaconda|
**numkit** is a small collection of numerical helper functions and
classes ("numerical first aid kit") that have been useful for
GromacsWrapper_ and related projects.
Originally, **numkit** was part of GromacsWrapper_ but was split off
into its own small package in version 0.7.0 of GromacsWrapper.
.. _GromacsWrapper: https://gromacswrapper.readthedocs.org/
Getting numkit
==============
Install with ``pip`` from PyPi with ::
pip install numkit
or with ``conda`` from the *conda-forge* channel ::
conda install -c conda-forge numkit
The source code is available under the BSD 3-clause license (see file
LICENSE) from GitHub in the repository
https://github.com/Becksteinlab/numkit ::
git clone https://github.com/Becksteinlab/numkit
Python support
==============
Python 3 support for releases 3.9 - 3.12 is tested on Linux, macOS,
and Windows.
(Python 2.7 and older version of Python 3 were supported up to release 1.2.3.)
Contributing
============
Contributions are very welcome in all forms, especially through issue
reports and pull requests.
If you don't get an answer within 2 days, ping ``@orbeckst`` to send a
notification.
.. |build| image:: https://github.com/Becksteinlab/numkit/actions/workflows/ci.yaml/badge.svg?branch=main
:alt: Build status
:target: https://github.com/Becksteinlab/numkit/actions/workflows/ci.yaml
.. |docs| image:: https://readthedocs.org/projects/numkit/badge/?version=latest
:target: https://numkit.readthedocs.org/en/latest/?badge=latest
:alt: Documentation
.. |cov| image:: https://codecov.io/gh/Becksteinlab/numkit/branch/main/graph/badge.svg
:target: https://codecov.io/gh/Becksteinlab/numkit?branch=main
:alt: Code Coverage
.. |anaconda| image:: https://anaconda.org/conda-forge/numkit/badges/version.svg
:target: https://anaconda.org/conda-forge/numkit
:alt: Anaconda package
Owner
- Name: Becksteinlab
- Login: Becksteinlab
- Kind: organization
- Email: obeckste@asu.edu
- Location: Tempe, AZ
- Website: https://becksteinlab.physics.asu.edu
- Repositories: 56
- Profile: https://github.com/Becksteinlab
Computational Biophysics at Arizona State University
GitHub Events
Total
Last Year
Committers
Last synced: almost 3 years ago
Top Committers
| Name | Commits | |
|---|---|---|
| Oliver Beckstein | o****t@g****m | 63 |
| Max Linke | m****e@g****e | 3 |
| Oliver Beckstein | o****n@b****k | 2 |
| Thomas Heavey | t****y@g****m | 2 |
| Cody | c****y@q****m | 1 |
| David Dotson | d****l@g****m | 1 |
Committer Domains (Top 20 + Academic)
Issues and Pull Requests
Last synced: 6 months ago
All Time
- Total issues: 15
- Total pull requests: 15
- Average time to close issues: 5 months
- Average time to close pull requests: 2 months
- Total issue authors: 2
- Total pull request authors: 4
- Average comments per issue: 0.6
- Average comments per pull request: 0.93
- Merged pull requests: 15
- Bot issues: 0
- Bot pull requests: 0
Past Year
- Issues: 0
- Pull requests: 2
- Average time to close issues: N/A
- Average time to close pull requests: about 1 month
- Issue authors: 0
- Pull request authors: 2
- Average comments per issue: 0
- Average comments per pull request: 0.5
- Merged pull requests: 2
- Bot issues: 0
- Bot pull requests: 0
Top Authors
Issue Authors
- orbeckst (14)
- ALescoulie (1)
Pull Request Authors
- orbeckst (15)
- hsk17 (2)
- theavey (1)
- kain88-de (1)
Top Labels
Issue Labels
bug (2)
Python 2/3 (2)
help wanted (1)
Pull Request Labels
Packages
- Total packages: 2
-
Total downloads:
- pypi 1,413 last-month
- Total docker downloads: 211
-
Total dependent packages: 2
(may contain duplicates) -
Total dependent repositories: 6
(may contain duplicates) - Total versions: 10
- Total maintainers: 1
pypi.org: numkit
numerical first aid kit
- Documentation: https://numkit.readthedocs.io/
- License: BSD
-
Latest release: 1.3.1
published over 1 year ago
Rankings
Docker downloads count: 2.5%
Dependent packages count: 4.7%
Dependent repos count: 6.7%
Downloads: 9.1%
Average: 11.6%
Forks count: 19.1%
Stargazers count: 27.8%
Maintainers (1)
Last synced:
6 months ago
conda-forge.org: numkit
- Homepage: https://github.com/Becksteinlab/numkit
- License: BSD-3-Clause
-
Latest release: 1.2.2
published over 3 years ago
Rankings
Dependent repos count: 24.3%
Dependent packages count: 29.0%
Average: 44.0%
Forks count: 59.1%
Stargazers count: 63.6%
Last synced:
7 months ago
Dependencies
docs/requirements.txt
pypi
- numpy >=1.9
- scipy *
setup.py
pypi
- numpy >=1.9
- scipy >=1.0
- six *
.github/workflows/ci.yaml
actions
- actions/checkout v3 composite
- actions/setup-python v4 composite
- codecov/codecov-action v3 composite