asext

v26.6.1 safe
3.0
Low Risk

Python package extends functions of ASE (Atomic Simulation Environment)

🤖 AI Analysis

Final verdict: SAFE

The package asext v26.6.1 has minimal risks associated with network, shell, and obfuscation activities. However, the metadata suggests some caution due to missing author information and a new or inactive maintainer.

  • Minimal network, shell, and obfuscation risks
  • Missing author information and new/inactive maintainer
Per-check LLM notes
  • Network: No network calls detected, which is normal unless the package requires internet access for its functionality.
  • Shell: No shell execution detected, reducing the likelihood of potential malicious activities.
  • Obfuscation: No obfuscation patterns detected, indicating low risk of malicious intent.
  • Credentials: No credential harvesting patterns detected, suggesting no immediate threat to secrets or credentials.
  • Metadata: The package shows some red flags with an absent author and a new/inactive maintainer, but no concrete evidence of malicious intent.

📦 Package Quality Overall: Low (1.2/10)

○ Low Test Suite 1.0

No test suite detected

  • No test files or test-runner configuration detected
○ Low Documentation 1.0

No documentation detected

  • No documentation URL, doc files, or meaningful description found
○ Low Contributing Guide 2.0

No contributing guide or governance files found

  • No CONTRIBUTING, CODE_OF_CONDUCT, or governance files found
○ Low Type Annotations 1.0

No type annotations detected

  • No type annotations, py.typed marker, or stub files detected
○ 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

No shell execution patterns detected

✓ Credential Harvesting

No credential harvesting patterns detected

✓ Typosquatting

No typosquatting candidates detected

✓ Registered Email Domain

Email domain looks legitimate: sth.com>

✓ 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 name is missing or very short
  • Author "" appears to have only 1 package on PyPI (new or inactive account)
✓ Known CVE Vulnerabilities

No known vulnerabilities found in OSV database.

💡 AI App Starter Prompt

Use this prompt to build a project with asext 
Create a Python-based molecular dynamics simulation tool called 'MolSimTool' using the 'asext' package, which extends the functionalities of ASE (Atomic Simulation Environment). This tool will allow users to simulate and visualize the behavior of molecules under various conditions. Here are the steps and features to implement:

1. **Setup**: Begin by installing the necessary packages including 'ase', 'asext', and 'matplotlib'. Ensure your development environment is set up properly.
2. **Input Module**: Develop an input module where users can specify the type of molecule they wish to simulate (e.g., water, methane), initial conditions like temperature and pressure, and simulation parameters such as time step and total simulation time.
3. **Simulation Engine**: Utilize 'asext' to extend ASE's capabilities by incorporating advanced molecular dynamics algorithms. Implement features like NVT (constant volume, temperature) and NPT (constant pressure, temperature) ensembles.
4. **Visualization**: Integrate visualization capabilities using 'matplotlib' to plot the trajectory of atoms over time. Additionally, create a feature to animate the molecular dynamics simulation.
5. **Output and Analysis**: Provide an output module that saves the simulation data to a file and includes basic analysis tools to calculate properties like potential energy, kinetic energy, and temperature fluctuations during the simulation.
6. **User Interface**: While not mandatory, consider developing a simple command-line interface or a more sophisticated GUI using 'tkinter' or similar library to make the tool user-friendly.

This project aims to provide a practical application of 'asext' while offering educational value on molecular dynamics simulations.

💬 Discussion Feed

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