MoleditPy

v3.6.4 safe
4.0
Medium Risk

A cross-platform, simple, and intuitive molecular structure editor built in Python. It allows 2D molecular drawing and 3D structure visualization. It supports exporting structure files for input to DFT calculation software.

🤖 AI Analysis

Final verdict: SAFE

The package appears safe with no direct indicators of malicious activity. The shell execution and base64 decoding could be legitimate for its functionality, and there are no signs of network or credential risks.

  • No network calls detected
  • No clear pattern of credential harvesting
Per-check LLM notes
  • Network: No network calls detected, which is typical and not indicative of malicious activity.
  • Shell: Shell execution may be used for benign purposes like running scripts, but without context, it could potentially be a vector for executing arbitrary code.
  • Obfuscation: Base64 decoding is commonly used for data serialization and may not indicate malicious activity alone.
  • Credentials: No clear patterns of credential harvesting detected.
  • Metadata: The author's information is incomplete, and they appear to be new or inactive, which raises some concern but not enough to conclusively label it as malicious.

🔬 Heuristic Checks

✓ Outbound Network Calls

No suspicious network call patterns found

⚠ Code Obfuscation score 2.0

Found 1 obfuscation pattern(s)

  • mol_binary = base64.b64decode(mol_base64.encode("ascii")) self.host.v
⚠ Shell / Subprocess Execution score 2.0

Found 1 shell execution pattern(s)

  • try: result = subprocess.run( [sys.executable, "-c", script],
✓ Credential Harvesting

No credential harvesting patterns detected

✓ Typosquatting

No typosquatting candidates detected

✓ Registered Email Domain

Email domain looks legitimate: gmail.com>

✓ Suspicious Page Links

All external links appear legitimate

✓ Git Repository History

Repository HiroYokoyama/python_molecular_editor 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 MoleditPy 
Create a desktop application using Python that enables users to design, visualize, and export molecular structures. This application will utilize the 'MoleditPy' package to facilitate the creation of both 2D and 3D molecular diagrams. Users should be able to draw molecules interactively, view them in 3D, and save their work in formats compatible with computational chemistry software for further analysis.

### Application Features:
- **Molecular Drawing Tool:** Implement a user-friendly interface where users can draw molecules by adding atoms and bonds. Ensure the tool supports common elements found in organic chemistry.
- **3D Visualization Mode:** Provide an option for users to switch to a 3D mode where they can rotate, zoom, and pan the molecule to view it from different angles.
- **Export Functionality:** Allow users to export their molecular structures in formats such as .mol, .sdf, or .pdb which are commonly used in computational chemistry.
- **File Management:** Enable users to save their work locally and load previously saved files directly into the application.
- **Help and Documentation:** Include a brief tutorial within the application that explains how to use the molecular drawing tools effectively.

### How to Use MoleditPy:
- **Integration:** Integrate MoleditPy into your application as the backend for handling all molecular drawing and visualization tasks. This involves importing necessary modules from MoleditPy and setting up the drawing canvas.
- **Drawing Interface:** Utilize MoleditPy's drawing capabilities to create a graphical user interface where users can select atoms from a periodic table and place them on the canvas. Bonds between atoms should be drawn automatically based on their positions.
- **3D Rendering:** Leverage MoleditPy's 3D rendering capabilities to display the molecule in a three-dimensional space. Users should be able to manipulate the view of the molecule through mouse interactions.
- **Export Mechanism:** Implement functionality that converts the drawn molecular structure into file formats supported by MoleditPy. These files should then be saved to the user's local storage.
- **User Interaction:** Design the application to provide feedback to the user at each stage of interaction, ensuring a smooth and intuitive experience.

By completing this project, you'll have developed a valuable tool for students, researchers, and anyone interested in molecular chemistry who needs a simple yet powerful way to visualize and manipulate molecular structures.