CoordChemPy

v0.2.0 safe
1.0
Low Risk

The essential Python toolkit for inorganic chemistry students and researchers.

πŸ€– AI Analysis

Final verdict: SAFE

The package shows no signs of malicious activity or unnecessary risks, with low scores across all assessed categories.

  • No network calls detected
  • No shell execution patterns found
Per-check LLM notes
  • Network: No network calls detected, which is normal unless the package requires external resources.
  • Shell: No shell execution patterns detected, indicating no direct system command execution.
  • Obfuscation: No obfuscation patterns detected, indicating low risk.
  • Credentials: No credential harvesting patterns detected, indicating low risk.

πŸ”¬ Heuristic Checks

βœ“ Outbound Network Calls

No suspicious network call patterns found

βœ“ Code Obfuscation

No obfuscation patterns detected

βœ“ Shell / Subprocess Execution

No shell execution patterns detected

βœ“ Credential Harvesting

No credential harvesting patterns detected

βœ“ Typosquatting

No typosquatting candidates detected

βœ“ Registered Email Domain

Email domain looks legitimate: epfl.ch>

βœ“ Suspicious Page Links

All external links appear legitimate

⚠ Git Repository History score 2.5

Git history flags: Repository has zero stars and zero forks

  • Repository has zero stars and zero forks
⚠ Maintainer History score 6.0

3 maintainer concern(s) found

  • Author name is missing or very short
  • Author "" appears to have only 1 package on PyPI (new or inactive account)
  • Package has no PyPI classifiers (low effort / metadata quality)
βœ“ Known CVE Vulnerabilities

No known vulnerabilities found in OSV database.

πŸ’‘ AI App Starter Prompt

Use this prompt to build a project with CoordChemPy
Create a mini-application called 'InorganicLabHelper' using the CoordChemPy Python package. This application will serve as a tool for inorganic chemistry students and researchers to explore coordination complexes and their properties. Here’s a step-by-step guide on how to build it:

1. **Project Setup**: Start by setting up a new Python virtual environment and installing CoordChemPy along with any other necessary packages like NumPy and Matplotlib.
2. **Core Features**:
   - **Complex Construction**: Allow users to input the formula of a coordination complex and generate its structure using CoordChemPy. Ensure the application can handle common ligands and metal centers.
   - **Property Calculation**: Implement functionality to calculate key properties of the complex such as bond lengths, angles, and d-orbital splitting energies based on crystal field theory.
   - **Visualization**: Utilize CoordChemPy to visualize the 3D structure of the complex and display it within the application. Users should be able to rotate and zoom into the structure.
   - **Data Export**: Provide an option for users to export the calculated properties and the visualization of the complex in a format like .mol or .pdb for further analysis.
3. **Enhanced Features**:
   - **Interactive Exploration**: Develop an interactive mode where users can modify the complex (e.g., change ligands or metal centers) and instantly see changes in properties and structure.
   - **Database Integration**: Incorporate a database of known coordination complexes and their properties for quick reference and comparison.
4. **User Interface**: Design a simple yet intuitive graphical user interface (GUI) using Tkinter or another suitable library. The GUI should allow easy navigation through different features and display results clearly.
5. **Testing & Documentation**: Thoroughly test each feature to ensure accuracy and reliability. Document the code and provide usage instructions for other students and researchers.

By completing this project, you will have developed a valuable tool for exploring and understanding coordination complexes in inorganic chemistry.