resettingmetadynamics
Science Score: 67.0%
This score indicates how likely this project is to be science-related based on various indicators:
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✓CITATION.cff file
Found CITATION.cff file -
✓codemeta.json file
Found codemeta.json file -
✓.zenodo.json file
Found .zenodo.json file -
✓DOI references
Found 2 DOI reference(s) in README -
✓Academic publication links
Links to: nature.com -
○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 (4.7%) to scientific vocabulary
Last synced: 10 months ago
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JSON representation
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Repository
Basic Info
- Host: GitHub
- Owner: BarakHirshberg
- Language: Python
- Default Branch: main
- Size: 3.18 MB
Statistics
- Stars: 5
- Watchers: 1
- Forks: 0
- Open Issues: 0
- Releases: 2
Created almost 3 years ago
· Last pushed over 1 year ago
Metadata Files
Readme
Citation
README.md
Combining stochastic resetting with Metadynamics to speed-up molecular dynamics simulations
Ofir Blumer, Shlomi Reuveni, and Barak Hirshberg
Here are example input files and raw data for the results presented in the paper 'Combining stochastic resetting with Metadynamics to speed-up molecular dynamics simulations'. They include representative LAMMPS, GROMACS, and plumed input files for two model systems and a molecular system. In addition, examples for implementing resetting in Python are given for both LAMMPS and GROMACS simulations.
Owner
- Name: Barak Hirshberg
- Login: BarakHirshberg
- Kind: user
- Company: Tel Aviv University
- Website: http://hirshberg-group.webflow.io/
- Twitter: barak_hirshberg
- Repositories: 1
- Profile: https://github.com/BarakHirshberg
Assistant Professor of Chemistry @ Tel Aviv University
Citation (CITATION.cff)
message: "Here are example input files and raw data for the paper `Combining stochastic resetting with Metadynamics to speed-up molecular dynamics simulations'." authors: - family-names: "Blumer" given-names: "Ofir" - family-names: "Reuveni" given-names: "Shlomi" - family-names: "Hirshberg" given-names: "Barak" title: "Input files and raw data for `Combining stochastic resetting with Metadynamics to speed-up molecular dynamics simulations'" date-released: 2023 url: "https://github.com/OfirBlumer/resettingMetadynamics"
GitHub Events
Total
- Watch event: 3
- Push event: 2
- Pull request review event: 1
- Pull request event: 2
- Create event: 1
Last Year
- Watch event: 3
- Push event: 2
- Pull request review event: 1
- Pull request event: 2
- Create event: 1
Issues and Pull Requests
Last synced: 10 months ago
All Time
- Total issues: 0
- Total pull requests: 1
- Average time to close issues: N/A
- Average time to close pull requests: about 17 hours
- Total issue authors: 0
- Total pull request authors: 1
- Average comments per issue: 0
- Average comments per pull request: 0.0
- Merged pull requests: 1
- Bot issues: 0
- Bot pull requests: 0
Past Year
- Issues: 0
- Pull requests: 1
- Average time to close issues: N/A
- Average time to close pull requests: about 17 hours
- Issue authors: 0
- Pull request authors: 1
- Average comments per issue: 0
- Average comments per pull request: 0.0
- Merged pull requests: 1
- Bot issues: 0
- Bot pull requests: 0
Top Authors
Issue Authors
Pull Request Authors
- OfirBlumer (1)