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ramannoodle
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Contents:

  • Introduction
  • Tutorials
    • Basics
    • Full workflow
    • Molecular dynamics
    • Model masking
    • Machine learning
  • Guides
    • IO
    • Units
  • API
    • ramannoodle.dataset
      • ramannoodle.dataset.torch
    • ramannoodle.dynamics
    • ramannoodle.io
      • ramannoodle.io.vasp
    • ramannoodle.pmodel
      • ramannoodle.pmodel.torch
    • ramannoodle.spectrum
    • ramannoodle.structure
  • Development
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GuidesΒΆ

Contents:

  • IO
    • File IO
    • Supported file formats
    • Pymatgen integration
  • Units
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Machine learning
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