https://github.com/becksteinlab/imdreader
prototype IMDReader for MDAnalysis
Science Score: 13.0%
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
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○DOI references
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○Academic publication links
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○Academic email domains
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○Institutional organization owner
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○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (5.4%) to scientific vocabulary
Keywords
Repository
prototype IMDReader for MDAnalysis
Basic Info
- Host: GitHub
- Owner: Becksteinlab
- License: gpl-2.0
- Language: Python
- Default Branch: main
- Homepage: https://imdreader.readthedocs.io/
- Size: 6.91 MB
Statistics
- Stars: 1
- Watchers: 2
- Forks: 0
- Open Issues: 1
- Releases: 0
Topics
Metadata Files
README.md
IMDReader
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| Status |
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Prototype IMDReader
IMDReader is bound by a Code of Conduct.
Installation
To build IMDReader from source,
we highly recommend using virtual environments.
If possible, we strongly recommend that you use
Anaconda as your package manager.
Below we provide instructions both for conda and
for pip.
With conda
Ensure that you have conda installed.
Create a virtual environment and activate it:
conda create --name imdreader
conda activate imdreader
Install the development and documentation dependencies:
conda env update --name imdreader --file devtools/conda-envs/test_env.yaml
conda env update --name imdreader --file docs/requirements.yaml
Build this package from source:
pip install -e .
If you want to update your dependencies (which can be risky!), run:
conda update --all
And when you are finished, you can exit the virtual environment with:
conda deactivate
With pip
To build the package from source, run:
pip install .
If you want to create a development environment, install the dependencies required for tests and docs with:
pip install ".[test,doc]"
Copyright
The IMDReader source code is hosted at https://github.com/becksteinlab/imdreader and is available under the GNU General Public License, version 2 (see the file LICENSE).
Copyright (c) 2024, Lawson
Acknowledgements
Project based on the MDAnalysis Cookiecutter version 0.1. Please cite MDAnalysis when using IMDReader in published work.
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
Issues and Pull Requests
Last synced: over 1 year ago
All Time
- Total issues: 5
- Total pull requests: 3
- Average time to close issues: 2 months
- Average time to close pull requests: 18 days
- Total issue authors: 1
- Total pull request authors: 1
- Average comments per issue: 2.2
- Average comments per pull request: 1.0
- Merged pull requests: 1
- Bot issues: 0
- Bot pull requests: 0
Past Year
- Issues: 5
- Pull requests: 3
- Average time to close issues: 2 months
- Average time to close pull requests: 18 days
- Issue authors: 1
- Pull request authors: 1
- Average comments per issue: 2.2
- Average comments per pull request: 1.0
- Merged pull requests: 1
- Bot issues: 0
- Bot pull requests: 0
Top Authors
Issue Authors
- ljwoods2 (5)
Pull Request Authors
- ljwoods2 (6)
Top Labels
Issue Labels
Pull Request Labels
Dependencies
- MDAnalysis/install-mdanalysis main composite
- MDAnalysis/mdanalysis-compatible-python main composite
- actions/checkout v4 composite
- actions/setup-python v4 composite
- codecov/codecov-action v3 composite
- conda-incubator/setup-miniconda v2 composite
- MDAnalysis >=2.0.0