agave-chem

v0.1.0 suspicious
5.0
Medium Risk

Reaction classification and atom-mapping

🤖 AI Analysis

Final verdict: SUSPICIOUS

The package shows some signs of potential obfuscation and has metadata risks due to its newness and lack of maintainer history.

  • Obfuscation risk detected
  • Low maintainer activity and history
Per-check LLM notes
  • Network: No network calls detected, which is normal unless the package requires external services.
  • Shell: No shell execution patterns detected, indicating no immediate risk from command execution.
  • Obfuscation: The patterns detected suggest obfuscation of code but do not indicate malicious intent; they appear to be related to model evaluation and tensor operations.
  • Credentials: No patterns indicative of credential harvesting or secret handling were detected.
  • Metadata: The package is suspicious due to its newness, lack of maintainer history, and minimal repository engagement.

🔬 Heuristic Checks

Outbound Network Calls

No suspicious network call patterns found

Code Obfuscation score 10.0

Found 6 obfuscation pattern(s)

  • -> torch.Tensor: self.eval() use_bilinear = self.supervised_config.head_type ==
  • "], strict=True) wrapper.eval() return wrapper class NeuralReactionMapper(Reacti
  • """ self._model.eval() enc = self._tokenizer( text,
  • ss": 0.0} self.model.eval() total_loss = 0.0 total_mlm_loss = 0.0
  • """ self.model.eval() input_ids = input_ids.to(self.device) atte
  • ) model.eval() total_attention_loss = 0.0 num_batches = 0
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: denovochem.com>

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

  • Only one version has ever been released — brand new package
  • 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 agave-chem
Create a chemical reaction analysis tool using the Python package 'agave-chem'. This tool will allow users to input a chemical reaction equation and receive detailed classifications and atom mappings of the reaction. Here are the steps and features your project should include:

1. **Setup**: Begin by installing 'agave-chem' and any other necessary packages such as pandas for data handling.
2. **User Interface**: Develop a simple command-line interface (CLI) where users can input their chemical reactions. Ensure the input format is user-friendly and allows for easy correction of errors.
3. **Reaction Parsing**: Use 'agave-chem' to parse the inputted reaction equation and extract relevant information like reactants, products, and catalysts.
4. **Classification**: Implement functionality that classifies the type of chemical reaction based on the parsed information. Use 'agave-chem' capabilities for reaction classification.
5. **Atom Mapping**: Provide atom mapping details for each molecule involved in the reaction. This will help users understand how atoms move from reactants to products.
6. **Output Presentation**: Display the results in a clear and organized manner. Include visual representations if possible, such as molecule diagrams using another library like RDKit.
7. **Error Handling**: Add robust error handling to manage incorrect inputs and provide meaningful feedback to the user.
8. **Documentation**: Write comprehensive documentation detailing how to use the CLI, common issues, and how to interpret the output.

By following these steps, you'll create a valuable tool for chemists and students looking to better understand and analyze chemical reactions.