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NaviCatGA
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Getting Started

  • Installation

Tutorials

  • Tutorials
    • 1. Continuous optimization
    • 2. SMILES fragment optimization
    • 3. Editing a real molecule (SELFIES)
    • 4. Config-driven runs
    • 5. Multi-objective optimization
    • 6. 3D structures (XYZ/AaronTools)
    • 7. Writing your own assembler, fitness function, and launcher
    • 8. Logging and saving run artifacts

Configuration

  • Configuration Templates

API Reference

  • API Reference
    • navicatGA
      • navicatGA.alphabet_solver
      • navicatGA.base_solver
      • navicatGA.cache
      • navicatGA.chemistry_selfies
      • navicatGA.chemistry_smiles
      • navicatGA.chemistry_xyz
      • navicatGA.config
      • navicatGA.exception_messages
      • navicatGA.exceptions
      • navicatGA.fitness_functions_float
      • navicatGA.fitness_functions_selfies
      • navicatGA.fitness_functions_xyz
      • navicatGA.float_solver
      • navicatGA.helpers
      • navicatGA.logger
      • navicatGA.quantum_wrappers_selfies
      • navicatGA.quantum_wrappers_xyz
      • navicatGA.queue_wrappers_xyz
      • navicatGA.score_modifiers
      • navicatGA.selfies_solver
      • navicatGA.smiles_solver
      • navicatGA.timeout
      • navicatGA.wrappers_selfies
      • navicatGA.wrappers_smiles
      • navicatGA.wrappers_xyz
      • navicatGA.xyz_solver
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