aromatools

v0.2.30 safe
4.0
Medium Risk

Tools for aromaticity evaluation

🤖 AI Analysis

Final verdict: SAFE

The package is deemed safe with low risks across all categories except for shell and metadata, where minor concerns exist due to potential misuse of subprocess and the newness of the maintainer.

  • Shell risk due to use of subprocess, but likely for legitimate purposes.
  • Metadata risk due to the maintainer's newness and lack of detailed package information.
Per-check LLM notes
  • Network: No network calls were detected, which is typical and not indicative of malicious activity.
  • Shell: The use of subprocess to execute scripts is present but appears to be for running local tools or scripts, which could be legitimate for a tool like aromatools if it involves processing files or running calculations locally.
  • Obfuscation: No obfuscation patterns detected, indicating low risk.
  • Credentials: No credential harvesting patterns detected, indicating low risk.
  • Metadata: The maintainer seems new and the lack of classifiers suggests low effort, but no clear malicious indicators.

📦 Package Quality Overall: Low (2.8/10)

○ Low Test Suite 1.0

No test suite detected

  • No test files or test-runner configuration detected
◈ Medium Documentation 5.0

Some documentation present

  • Detailed PyPI description (1211 chars)
○ Low Contributing Guide 2.0

No contributing guide or governance files found

  • No CONTRIBUTING, CODE_OF_CONDUCT, or governance files found
◈ Medium Type Annotations 5.0

Partial type annotation coverage

  • 14 type-annotated function signatures detected in source
○ Low Multiple Contributors 1.0

Unable to verify contributor count: no GitHub repository found

  • No GitHub repository linked — contributor count unavailable

🔬 Heuristic Checks

✓ Outbound Network Calls

No suspicious network call patterns found

✓ Code Obfuscation

No obfuscation patterns detected

⚠ Shell / Subprocess Execution score 8.0

Found 4 shell execution pattern(s)

  • e", ] subprocess.check_call( [sys.executable, vtk_script] + cube_files
  • try: subprocess.check_call([sys.executable, os.path.join(script_dir, "insert_basis.py")
  • ube) try: subprocess.run( [sys.executable, str(script), cube],
  • r, "insert_basis.py") subprocess.check_call([sys.executable, insert_script]) print("[ok] basis.t
✓ Credential Harvesting

No credential harvesting patterns detected

✓ Typosquatting

No typosquatting candidates detected

✓ Registered Email Domain

No author email provided

✓ Suspicious Page Links

All external links appear legitimate

✓ Git Repository History

No GitHub repository linked

  • No GitHub repository link found
⚠ Maintainer History score 4.0

2 maintainer concern(s) found

  • Author "Fernando Martínez-Villarino, Mesías Orozco-Ic, Gabriel Merino" appears to have only 1 package on PyPI (new or inactive account)
  • Package has no PyPI classifiers (low effort / metadata quality)
✓ Known CVE Vulnerabilities

No known vulnerabilities found in OSV database.

💡 AI App Starter Prompt

Use this prompt to build a project with aromatools 
Create a chemical analysis tool named 'AromaExplorer' using Python's 'aromatools' package. This tool should allow users to input molecular structures in SMILES format and evaluate their aromaticity. The application should include the following features:

1. User Interface: Develop a simple command-line interface where users can input SMILES strings of molecules.
2. Aromaticity Evaluation: Use 'aromatools' to assess the aromaticity of the provided molecules. Display the results in a readable format indicating which parts of the molecule are aromatic.
3. Visualization: Implement a feature to visualize the aromatic rings identified by 'aromatools'. This could be done using a Python plotting library like Matplotlib or a more specialized chemistry visualization library such as RDKit.
4. Saving Results: Allow users to save the aromaticity assessment results and visualizations to a file in formats like PDF or PNG.
5. Documentation: Provide clear documentation on how to use 'AromaExplorer', including examples of valid SMILES strings and expected outputs.

The goal of this project is to create a user-friendly tool that leverages 'aromatools' capabilities to help chemists and researchers understand the aromatic properties of molecules they study. This will not only showcase the power of 'aromatools' but also provide a practical utility for the scientific community.

💬 Discussion Feed

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