jmolecularenergy
JME is a Java library for calculating force fields, molecular dynamics, and QSAR, designed for easy integration into scientific applications.
Science Score: 44.0%
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
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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 (2.8%) to scientific vocabulary
Repository
JME is a Java library for calculating force fields, molecular dynamics, and QSAR, designed for easy integration into scientific applications.
Basic Info
- Host: GitHub
- Owner: RamiManaf
- License: mit
- Language: Java
- Default Branch: main
- Size: 6.41 MB
Statistics
- Stars: 5
- Watchers: 1
- Forks: 2
- Open Issues: 0
- Releases: 3
Metadata Files
README.md
JMolecularEnergy
JME is a Java library for calculating force fields potential energy and it's designed for easy integration into scientific applications. JME is designed to help researchers and scientists explore and understand the behavior of molecules at the atomic level. You can analyze the interactions between atoms and molecules and optimize molecular structures.
Owner
- Name: رامي مناف
- Login: RamiManaf
- Kind: user
- Location: سوريا
- Repositories: 2
- Profile: https://github.com/RamiManaf
Citation (CITATION.cff)
cff-version: 1.2.0
message: "If you use this software, please cite it as below."
title: "JMolecular Energy"
version: 1.0.0
date-released: 2024-10-5
url: "https://github.com/RamiManaf/JMolecularEnergy"
preferred-citation:
type: article
authors:
- family-names: "Abdallah"
given-names: "Rami"
orcid: "https://orcid.org/0009-0007-6715-3297"
doi: "10.1002/jcc.70071"
url: https://onlinelibrary.wiley.com/doi/10.1002/jcc.70071
journal: "Journal of Computational Chemistry"
month: 2
start: e70071
title: "Extending Chemoinformatics Techniques With JMolecular Energy: A Robust CDK-Based Force Field Library"
issue: 6
volume: 46
year: 2025
GitHub Events
Total
- Issues event: 4
- Issue comment event: 4
- Push event: 3
- Pull request event: 2
Last Year
- Issues event: 4
- Issue comment event: 4
- Push event: 3
- Pull request event: 2
Issues and Pull Requests
Last synced: 6 months ago
All Time
- Total issues: 2
- Total pull requests: 1
- Average time to close issues: about 4 hours
- Average time to close pull requests: 4 days
- Total issue authors: 1
- Total pull request authors: 1
- Average comments per issue: 1.0
- Average comments per pull request: 1.0
- Merged pull requests: 1
- Bot issues: 0
- Bot pull requests: 0
Past Year
- Issues: 2
- Pull requests: 1
- Average time to close issues: about 4 hours
- Average time to close pull requests: 4 days
- Issue authors: 1
- Pull request authors: 1
- Average comments per issue: 1.0
- Average comments per pull request: 1.0
- Merged pull requests: 1
- Bot issues: 0
- Bot pull requests: 0
Top Authors
Issue Authors
- egonw (2)
- RvdPloeg (1)
Pull Request Authors
- RvdPloeg (2)
- egonw (1)