Release 1.0.0

Added

• Comprehensive DataFrame utilities for converting EPI Suite and EcoSAR results to pandas DataFrames
• 45+ properties extracted from EPI Suite results including:
  • Chemical identification and classification
  • Physical-chemical properties (Log Kow, melting/boiling points, solubility, etc.)
  • Environmental fate (atmospheric half-life, biodegradation, bioconcentration)
  • Detailed atmospheric chemistry (hydroxyl radical and ozone reaction rates)
  • Bioconcentration with trophic level data
  • Water volatilization parameters
  • Dermal permeability coefficients
  • Fugacity model persistence and compartment half-lives
  • Sewage treatment removal efficiencies
  • Hydrolysis rate constants
• Excel export functionality with multiple sheets and formatting
• Summary statistics generation for results analysis
• Comprehensive MkDocs documentation with API references and examples
• GitHub Actions workflows for automated testing and documentation deployment
• Dependabot configuration for automated dependency updates
• Contributing guidelines, security policy, and issue templates
• Experimental data integration for model validation

Enhanced

• Updated package structure with improved organization
• Enhanced test coverage with comprehensive test cases
• Improved error handling and data validation
• Updated README with detailed usage examples and badges

Infrastructure

• Complete CI/CD pipeline with GitHub Actions
• Documentation deployment to GitHub Pages
• Automated testing across multiple Python versions and operating systems
• Code quality checks with linting and type checking

Full Changelog: https://github.com/USEtox/PyEPISuite/commits/v1.0.0