https://github.com/becksteinlab/mdanalysis-with-dask
Benchmarking MDAnalysis with dask.
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
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✓DOI references
Found 3 DOI reference(s) in README -
○Academic publication links
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✓Committers with academic emails
2 of 4 committers (50.0%) from academic institutions -
○Institutional organization owner
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○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (4.3%) to scientific vocabulary
Keywords
dask
hpc
mdanalysis
molecular-dynamics-simulation
mpi
python
spidal
Last synced: 5 months ago
·
JSON representation
Repository
Benchmarking MDAnalysis with dask.
Basic Info
Statistics
- Stars: 5
- Watchers: 5
- Forks: 1
- Open Issues: 0
- Releases: 0
Topics
dask
hpc
mdanalysis
molecular-dynamics-simulation
mpi
python
spidal
Created over 8 years ago
· Last pushed over 8 years ago
Metadata Files
Readme
License
README.md
MDAnalysis with Dask
Code to benchmark parallelization of MDAnalysis with Dask [1, 2, 3]
References
- M. Khoshlessan and O. Beckstein. Parallel analysis in the MDAnalysis library: Benchmark of trajectory file formats. Technical report, Arizona State University, Tempe, AZ, 2017. figshare. doi: 10.6084/m9.figshare.4695742
- M. Khoshlessan, I. Paraskevakos, S. Jha, and O. Beckstein. Parallel analysis in MDAnalysis using the Dask parallel computing library. In S. Benthall and S. Rostrup, editors, Proceedings of the 16th Python in Science Conference, Austin, TX, 2017. SciPy. PR scipy-conference/scipy_proceedings#290
- I. Paraskevakos et al, Parallel Analysis of Molecular Dynamics Trajectory. In preparation.
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: 7 months ago
Top Committers
| Name | Commits | |
|---|---|---|
| Mahzad Khoshlessan | m****n@a****u | 14 |
| Oliver Beckstein | o****t@g****m | 2 |
| Ioannis Paraskevakos | i****k | 2 |
| Mahzad Khoshlessan | m****e@a****u | 1 |
Committer Domains (Top 20 + Academic)
asu.edu: 2
Issues and Pull Requests
Last synced: 7 months ago
All Time
- Total issues: 0
- Total pull requests: 3
- Average time to close issues: N/A
- Average time to close pull requests: 2 days
- Total issue authors: 0
- Total pull request authors: 1
- Average comments per issue: 0
- Average comments per pull request: 0.0
- Merged pull requests: 2
- Bot issues: 0
- Bot pull requests: 0
Past Year
- Issues: 0
- Pull requests: 0
- Average time to close issues: N/A
- Average time to close pull requests: N/A
- Issue authors: 0
- Pull request authors: 0
- Average comments per issue: 0
- Average comments per pull request: 0
- Merged pull requests: 0
- Bot issues: 0
- Bot pull requests: 0
Top Authors
Issue Authors
Pull Request Authors
- iparask (3)