AI Analysis
Final verdict: SUSPICIOUS
The package shows no direct signs of malicious intent such as network calls, shell executions, or obfuscation. However, the metadata risk score is elevated due to missing repository and limited maintainer history, raising concerns about its legitimacy.
- No network calls or shell executions detected
- Repository not found and maintainer has limited history
Per-check LLM notes
- Network: No network calls detected, which is normal for a package focused on computational chemistry and machine learning.
- Shell: No shell executions detected, consistent with a benign library for scientific computing.
- Obfuscation: No obfuscation patterns detected, indicating low risk of malicious obfuscation.
- Credentials: No credential harvesting patterns detected, indicating low risk of credential theft.
- Metadata: The repository is not found and the maintainer has limited history, indicating potential low effort or new account which raises some suspicion.
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: acellera.com
Suspicious Page Links
All external links appear legitimate
Git Repository History
score 3.0
Repository not found (deleted or private)
Repository not found (deleted or private)
Maintainer History
score 4.0
2 maintainer concern(s) found
Author "Acellera" 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 acellera-openmm-torch-cuda-12
Develop a molecular dynamics simulation tool using the 'acellera-openmm-torch-cuda-12' package. This package combines OpenMM, Torch, and CUDA, making it ideal for high-performance simulations on GPUs. Your goal is to create a user-friendly application that allows scientists to simulate the behavior of molecules under various conditions, such as temperature and pressure changes. Here are the steps and features your application should include: 1. **Setup**: Ensure your environment is set up correctly by installing the necessary dependencies including PyTorch, CUDA, and OpenMM. Use 'acellera-openmm-torch-cuda-12' as the backend for GPU acceleration. 2. **User Interface**: Design a simple but effective command-line interface (CLI) where users can input parameters such as molecule types, initial positions, and simulation conditions (temperature, pressure). 3. **Molecule Input**: Allow users to upload PDB files or specify molecular structures directly through the CLI. The application should parse these inputs and prepare them for simulation. 4. **Simulation Parameters**: Users should be able to adjust parameters like time steps, integration methods, and force fields. The application must validate these inputs to ensure they are within acceptable ranges for accurate simulations. 5. **Run Simulation**: Utilize 'acellera-openmm-torch-cuda-12' to run the simulation efficiently on a GPU. Implement progress tracking so users can monitor the simulation's status. 6. **Visualization**: After the simulation completes, generate visual outputs of the molecular dynamics. These could be animations showing the movement of atoms over time or static images at key intervals. 7. **Output Data**: Save the results of the simulation in a format that can be easily analyzed (e.g., HDF5). Include options for exporting data to popular analysis tools or visualization software. 8. **Documentation and Help**: Provide comprehensive documentation detailing how to use each feature of the application, including examples and best practices for setting up simulations. By leveraging the capabilities of 'acellera-openmm-torch-cuda-12', your application will not only perform complex simulations quickly but also offer researchers and students a powerful yet accessible tool for studying molecular behavior.