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Orchestrator 0.6 documentation
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Orchestrator 0.6 documentation

Orchestrator 101

  • Introduction
    • Installation
    • Integrating Orchestrator with Jupyter Notebooks
    • Using KIM Software
    • KIMkit Setup
    • AiiDA
  • Testing

Module Descriptions

  • Turn-key Module
    • Executor
  • Coordinating Modules
    • Augmentor
    • TargetProperty
  • Atomic Modules
    • Potential
    • Trainer
      • Trainer Manifest for KLIFF
      • Weights
      • Per-atom predictions logging
      • Default artifacts
    • Oracle
    • Simulator
    • Computer
    • Descriptor
    • Score
  • Utility Modules
    • Workflow
    • Storage
    • Restart
    • Factory / Builder
    • Miscellaneous Utilities
  • Orchestrator Inheritance Graph

Example Usage

  • Examples Overview
  • Jupyter Examples

Orchestrator API

  • Turn-key Module
    • Executor
  • Coordinating Modules
    • Augmentor Module
    • Target Property Module
    • Analysis sub-module
  • Atomic Modules
    • Computer Module
    • Descriptor Module
    • Score Module
    • Oracle Module
    • Potential Module
    • Simulator Module
    • Trainer Module
  • Utility Modules
    • Workflow Module
    • Job Status
    • Storage Module
    • Restart Module
    • General Factory and Builder Interface
    • Recorder Module
    • Utility Functions

Release Information

  • Release Information
  • GitHub Repository
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