https://github.com/becksteinlab/bornprofiler
A small Python package to set up electrostatic solvation free energy ("Born energy") calculations of an ion in a membrane protein and calculate the electrostatic free energy with APBS .
Science Score: 10.0%
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
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○.zenodo.json file
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○DOI references
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○Academic links in README
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✓Committers with academic emails
3 of 6 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 (1.7%) to scientific vocabulary
Keywords
apbs
electrostatics
membrane-proteins
poisson-boltzmann
python
science
Keywords from Contributors
free-energy
molecular-dynamics-simulation
Last synced: 5 months ago
·
JSON representation
Repository
A small Python package to set up electrostatic solvation free energy ("Born energy") calculations of an ion in a membrane protein and calculate the electrostatic free energy with APBS .
Basic Info
- Host: GitHub
- Owner: Becksteinlab
- License: gpl-3.0
- Language: Python
- Default Branch: develop
- Homepage: https://bornprofiler.readthedocs.io
- Size: 1.09 GB
Statistics
- Stars: 3
- Watchers: 2
- Forks: 2
- Open Issues: 10
- Releases: 0
Topics
apbs
electrostatics
membrane-proteins
poisson-boltzmann
python
science
Created almost 11 years ago
· Last pushed almost 4 years ago
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
- Watch event: 1
Last Year
- Watch event: 1
Committers
Last synced: 8 months ago
Top Committers
| Name | Commits | |
|---|---|---|
| Oliver Beckstein | o****t@g****m | 195 |
| Lennard van der Feltz | l****f@a****u | 8 |
| Rick Sexton | r****2@a****u | 1 |
| David Dotson | d****l@g****m | 1 |
| ChenouZhang | c****8@a****u | 1 |
| Lennard van der Feltz | l****d@d****) | 1 |
Committer Domains (Top 20 + Academic)
asu.edu: 3
darthtater.(none): 1
Issues and Pull Requests
Last synced: 8 months ago
All Time
- Total issues: 11
- Total pull requests: 5
- Average time to close issues: 13 days
- Average time to close pull requests: about 2 hours
- Total issue authors: 3
- Total pull request authors: 2
- Average comments per issue: 0.55
- Average comments per pull request: 0.2
- Merged pull requests: 1
- 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
- orbeckst (9)
- SehrishJamal (1)
- ChenouZhang (1)
Pull Request Authors
- ChenouZhang (4)
- orbeckst (1)
Top Labels
Issue Labels
docs (2)
bug (2)
Priority-Low (1)
enhancement (1)
Pull Request Labels
Dependencies
ci/requirements.txt
pypi
- networkx *
- numpy *
- scipy *
setup.py
pypi
- networkx *
- numpy >=1.0.3
- scipy *