OpenMM-CUDA-13

v8.5.1 suspicious
4.0
Medium Risk

CUDA platform for OpenMM

🤖 AI Analysis

Final verdict: SUSPICIOUS

The package exhibits a low risk in terms of direct execution or network activities but has some concerning metadata issues, including a lack of a GitHub repository and poor metadata quality. This combination suggests potential suspicion, though not definitive proof of malicious intent.

  • Lack of a GitHub repository
  • Poor metadata quality
Per-check LLM notes
  • Network: No network calls detected, which is normal for a computational library like OpenMM.
  • Shell: No shell executions detected, which is expected for a computational library.
  • Obfuscation: No obfuscation patterns detected, indicating low risk of malicious obfuscation.
  • Credentials: No credential harvesting patterns detected, indicating low risk of malicious activity.
  • Metadata: The package shows some red flags such as lack of a GitHub repository and low metadata quality, but there's not enough evidence to suggest it is malicious.

🔬 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

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 "Peter Eastman" 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 OpenMM-CUDA-13
Create a molecular dynamics simulation application using the OpenMM-CUDA-13 package in Python. This application will allow users to simulate the behavior of molecules under various physical conditions such as temperature and pressure. The goal is to visualize and analyze the interactions between atoms within these molecules over time. Here are the steps and features you should include in your project:

1. **Setup Environment**: Ensure that the environment includes Python and OpenMM-CUDA-13 installed.
2. **Molecule Input**: Allow users to input or upload a PDB file representing their molecule of interest.
3. **Simulation Parameters**: Provide options to set up simulation parameters like temperature, pressure, time step, and total simulation time.
4. **CUDA Acceleration**: Utilize OpenMM-CUDA-13 to accelerate the simulation process, taking advantage of GPU capabilities for faster computation.
5. **Visualization**: Implement real-time visualization of the simulation results, showing how the molecules move and interact over time.
6. **Analysis Tools**: Include basic analysis tools to calculate properties like potential energy, kinetic energy, and temperature from the simulation data.
7. **Output Options**: Enable users to save the simulation results in formats suitable for further analysis or publication.
8. **User Interface**: Develop a simple but intuitive graphical user interface (GUI) using libraries like PyQt or Tkinter for ease of use.

By following these steps and incorporating these features, you'll create a powerful yet accessible tool for exploring molecular dynamics simulations.