atomscale

v0.14.2 suspicious
3.0
Low Risk

Python SDK for Atomscale.

🤖 AI Analysis

Final verdict: SUSPICIOUS

The package exhibits some potential risks, primarily due to the shell execution and incomplete metadata, which require closer scrutiny to rule out malicious intent.

  • Shell risk: subprocess execution could be legitimate but needs verification.
  • Metadata risk: missing author details and new maintainer account raise concerns.
Per-check LLM notes
  • Network: No network calls detected.
  • Shell: Subprocess execution may be legitimate if it's part of the package's functionality, but requires further investigation to ensure it is not being used maliciously.
  • Obfuscation: No obfuscation patterns detected, indicating low risk of malicious activity related to code obfuscation.
  • Credentials: No credential harvesting patterns detected, suggesting the package is not attempting to steal secrets or credentials.
  • Metadata: The package shows some red flags such as missing author details and a new maintainer account, but there's no clear evidence of typosquatting or other malicious intent.

📦 Package Quality Overall: Medium (5.2/10)

✦ High Test Suite 9.0

Test suite present — 19 test file(s) found

  • Test runner config found: pyproject.toml
  • 19 test file(s) detected (e.g. _mock_http_server.py)
✦ High Documentation 9.0

Well-documented package

  • Documentation URL: "Documentation" -> https://atomscale-ai.github.io/sdk
  • 1 documentation file(s) (e.g. conf.py)
  • Detailed PyPI description (2725 chars)
○ Low Contributing Guide 2.0

No contributing guide or governance files found

  • No CONTRIBUTING, CODE_OF_CONDUCT, or governance files found
◈ Medium Type Annotations 5.0

Partial type annotation coverage

  • 224 type-annotated function signatures detected in source
○ Low Multiple Contributors 1.0

Unable to verify contributor count: no GitHub repository found

  • No GitHub repository linked — contributor count unavailable

🔬 Heuristic Checks

✓ Outbound Network Calls

No suspicious network call patterns found

✓ Code Obfuscation

No obfuscation patterns detected

⚠ Shell / Subprocess Execution score 4.0

Found 2 shell execution pattern(s)

  • reading self._proc = subprocess.Popen( [sys.executable, str(_MOCK_SERVER_MODULE), str(
  • cess.""" self._proc = subprocess.Popen( [sys.executable, str(_MOCK_SERVER_MODULE), str(
✓ Credential Harvesting

No credential harvesting patterns detected

✓ Typosquatting

No typosquatting candidates detected

✓ Registered Email Domain

Email domain looks legitimate: atomscale.ai>

✓ 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 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 atomscale 
Create a molecular visualization tool using the Atomscale Python SDK. This tool will allow users to input the atomic structure of various molecules and visualize them in 3D. Additionally, it should provide basic analysis features such as calculating bond lengths and angles, identifying molecular symmetry, and displaying electron density maps.

Step 1: Setup the Project
- Initialize a new Python project.
- Install the Atomscale SDK and any necessary dependencies for 3D visualization (such as PyMOL or Matplotlib).

Step 2: Input Molecular Data
- Develop a user-friendly interface where users can either upload a file containing molecular data (e.g., .pdb, .xyz) or manually enter atomic coordinates.
- Ensure that the input validation checks for correct format and completeness of the molecular data.

Step 3: Visualize the Molecule
- Use the Atomscale SDK to parse the input data and generate a 3D model of the molecule.
- Implement a feature to rotate, zoom, and pan the view of the molecule.
- Display atom types and bonds clearly, possibly with different colors for different elements.

Step 4: Analyze the Molecule
- Calculate and display bond lengths and angles between atoms.
- Identify and display any symmetries present in the molecule.
- If possible, overlay an electron density map based on quantum chemical calculations provided by Atomscale.

Step 5: Save and Share Results
- Allow users to save their visualizations as image files (.png, .jpg) or 3D model files (.pdb, .xyz).
- Provide a way to share the visualization directly from the app via social media or email.

Utilization of Atomscale:
- Import and use the Atomscale package to handle molecular data and perform advanced analyses.
- Leverage Atomscale's built-in functions for parsing molecular structures, calculating properties, and generating visual representations.
- Explore Atomscale's documentation to find additional functionalities that can enhance your application.

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