smact.utils module

The utilities module provides some utility functions to support the core functionalities of SMACT

Submodules

• smact.utils.composition module
  • comp_maker()
  • composition_dict_maker()
  • formula_maker()
  • parse_formula()
• smact.utils.crystal_space module
  • Submodules
    • smact.utils.crystal_space.download_compounds_with_mp_api module
    • smact.utils.crystal_space.generate_composition_with_smact module
      • convert_formula()
      • generate_composition_with_smact()
      • generate_composition_with_smact_custom()
    • smact.utils.crystal_space.plot_embedding module
      • plot_reducers_embeddings()
      • update_layout()
• smact.utils.oxidation module
  • ICSD24OxStatesFilter
    • ICSD24OxStatesFilter.ox_states_df
    • ICSD24OxStatesFilter.filter()
    • ICSD24OxStatesFilter.get_species_list()
    • ICSD24OxStatesFilter.get_species_occurrences_df()
    • ICSD24OxStatesFilter.write()