CodeEntropy

v2.2.4 suspicious
5.0
Medium Risk

CodeEntropy is a Python package for computing the configurational entropy of macromolecular systems using forces sampled from molecular dynamics (MD) simulations. It implements the multiscale cell correlation method to provide accurate and efficient entropy estimates, supporting a wide range of applications in molecular simulation and statistical mechanics.

🤖 AI Analysis

Final verdict: SUSPICIOUS

The package has moderate risks due to its network and shell command usage, although no clear signs of malicious intent were found. Incomplete metadata raises concerns about the reliability of the package.

  • Moderate network risk
  • High shell execution risk
  • Incomplete author metadata
Per-check LLM notes
  • Network: The package makes network calls which could be for legitimate purposes like fetching updates or data, but requires further investigation to confirm.
  • Shell: Executing shell commands might be necessary for the package's functionality, such as version control operations, but poses a higher risk if not properly controlled and documented.
  • Obfuscation: No obfuscation patterns detected, indicating low risk.
  • Credentials: No credential harvesting patterns detected, indicating low risk.
  • Metadata: The author's information is incomplete, suggesting potential unreliability.

🔬 Heuristic Checks

⚠ Outbound Network Calls score 3.0

Found 2 network call pattern(s)

  • k=True) try: with urllib.request.urlopen(url) as r, dst.open("wb") as f: f.write(
  • try: response = requests.get(url, timeout=10) response.raise_for_status()
✓ Code Obfuscation

No obfuscation patterns detected

⚠ Shell / Subprocess Execution score 4.0

Found 2 shell execution pattern(s)

  • turn None proc = subprocess.run( ["git", "rev-parse", "HEAD"],
  • sort_keys=False)) proc = subprocess.run( ["python", "-m", "CodeEntropy"], cwd=str(wo
✓ Credential Harvesting

No credential harvesting patterns detected

✓ Typosquatting

No typosquatting candidates detected

✓ Registered Email Domain

Email domain looks legitimate: sheffield.ac.uk>

✓ Suspicious Page Links

All external links appear legitimate

✓ Git Repository History

Repository CCPBioSim/CodeEntropy appears legitimate

⚠ 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 CodeEntropy 
Create a mini-application called 'MolecularEntropyExplorer' that leverages the 'CodeEntropy' package to calculate and visualize the configurational entropy of macromolecular systems based on force data from molecular dynamics (MD) simulations. This application should allow users to input their MD simulation data, compute the configurational entropy using the multiscale cell correlation method implemented in CodeEntropy, and display the results graphically. Additionally, the app should include features such as:

1. A user-friendly interface for uploading MD simulation data files.
2. Options to select different parameters for entropy calculation, such as temperature ranges and specific time intervals within the simulation.
3. Interactive visualization tools to explore how entropy changes across different conditions or regions of the macromolecule.
4. Saving and exporting the calculated entropy data and visualizations for further analysis.

The core functionality of the 'CodeEntropy' package will be utilized to process the uploaded MD data, perform the entropy calculations, and generate the necessary outputs for the application's visualization and export functionalities.