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Releases: USEtox/PyEPISuite

Release 1.2.0

23 Apr 07:32

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Added

  • Automatic JAR download_LocalRuntimeManager now automatically downloads EpiSuiteCLI.jar
    from https://episuite.dev/api/download when the file is not present locally, eliminating the
    need for manual installation. The download URL can be overridden via the
    PYEPISUITE_JAR_DOWNLOAD_URL environment variable.
  • Download progress bar — a tqdm-based progress bar is shown during the JAR download,
    displaying transferred size, speed, and estimated time remaining.
  • tqdm>=4.0.0 added as a runtime dependency.

Full Changelog: v1.1.0...v1.2.0

Release 1.1.0

16 Apr 18:47

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Added

  • Local mode support via embedded Java executable (EpiSuiteCLI.jar) for offline EPISuite calculations
  • Local API client that starts and communicates with the local Java server

Changed

  • Switched project tooling to uv for faster dependency management
  • Updated DataFrame utilities with additional properties
  • Dropped Python 3.10 support; minimum version is now Python 3.11

Fixed

  • Type issue and typo fixes

Full Changelog: v1.0.1...v1.1.0

Release 1.0.1

19 Sep 13:43

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What's Changed

Release 1.0.1

Full Changelog: v...v1.0.1

What's Changed

  • ci(deps): bump actions/download-artifact from 4 to 5 by @dependabot[bot] in #6

New Contributors

Full Changelog: v1.0.0...v1.0.1

Release 1.0.0

28 Aug 22:44

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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