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  • Introduction
  • Getting Started
  • Examples
    • Using element and species classes
    • Using filter
    • Using validity
    • Building lists
    • Using oxidation states
    • Using compound electronegativity
    • Using the valence electron concentration
    • Using doper
    • Using distorter
    • Using the metallicity module
    • Predicting Properties from Composition
  • Tutorials
    • Quaternary oxide composition generation
    • Filtering a search space using oxidation states
    • Metal vs. Non-Metal Classification on matbench_expt_is_metal
    • Testing charge-neutrality of the compositions in the GNoME database
    • Crystal Structure Prediction via Ionic Substitutions
    • Exploring crystal space
    • Visualising crystal space
    • Creating oxidation states lists
  • smact Python package
    • Property Prediction Module
      • smact.property_prediction.base_predictor module
      • smact.property_prediction.convenience module
      • smact.property_prediction.config module
      • smact.property_prediction.io module
      • smact.property_prediction.registry module
      • smact.property_prediction.roost module
    • Structure Prediction Module
      • Prediction Module
      • Structure Database Module
      • Mutation Module
      • Structure Module
      • Substitution Probability Models
      • Structure Prediction Utilities Module
    • Dopant Prediction Module
      • smact.dopant_prediction.doper module
    • SMACT Utilities module
      • SMACT Utilities Composition Module
      • SMACT Utilities Crystal Space Module
        • Crystal Space Materials Project Data Retrieval Module
        • Crystal Space SMACT Generation Module
        • Crystal Space Embedding Module
      • SMACT Utilities Oxidation Module
    • smact.properties module
    • smact.screening module
    • smact.oxidation_states module
    • smact.metallicity module
    • smact.builder module
    • smact.distorter module
    • smact.lattice module
    • smact.lattice_parameters module
    • smact.data_loader module
  • Changelog

Python Module Index

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- smact
    smact.builder
    smact.data_loader
    smact.distorter
    smact.dopant_prediction.doper
    smact.lattice
    smact.lattice_parameters
    smact.metallicity
    smact.oxidation_states
    smact.properties
    smact.property_prediction.base_predictor
    smact.property_prediction.config
    smact.property_prediction.convenience
    smact.property_prediction.io
    smact.property_prediction.registry
    smact.property_prediction.roost.predictor
    smact.screening
    smact.structure_prediction.database
    smact.structure_prediction.mutation
    smact.structure_prediction.prediction
    smact.structure_prediction.probability_models
    smact.structure_prediction.structure
    smact.structure_prediction.utilities
    smact.utils.composition
    smact.utils.crystal_space.generate_composition_with_smact
    smact.utils.crystal_space.plot_embedding
    smact.utils.oxidation

By The SMACT Developers

© Copyright 2026, The SMACT Developers.