Python Module Index

a | c
 
a
ai4materials
    ai4materials.calc_descriptor.multiple-structures Example of descriptor calculation for multiple crystal structures
    ai4materials.dataprocessing
    ai4materials.descriptors
    ai4materials.descriptors.atomic_features-example Retrieve atomic features from a crystal structure
    ai4materials.descriptors.base_descriptor
    ai4materials.descriptors.diffraction1d
    ai4materials.descriptors.diffraction2d-example Two-dimensional diffraction fingerprint calculation example
    ai4materials.descriptors.diffraction3d-example Three-dimensional diffraction fingerprint calculation example
    ai4materials.descriptors.prdf
    ai4materials.interpretation
    ai4materials.interpretation.deconv_resp_maps
    ai4materials.interpretation.plot_att_response_maps-example-diffraction2d Attentive response maps for diffraction fingerprints
    ai4materials.models
    ai4materials.models.cnn-nature-comm2018 Convolutional neural network for crystal-structure classification
    ai4materials.models.cnn_architectures
    ai4materials.models.cnn_polycrystals
    ai4materials.models.l1_l0
    ai4materials.models.l1_l0-example LASSO + L0 example
    ai4materials.models.sis
    ai4materials.utils
    ai4materials.utils.unit_conversion
    ai4materials.utils.utils_binaries
    ai4materials.utils.utils_config
    ai4materials.utils.utils_crystals Utils crystals
    ai4materials.utils.utils_crystals.create_supercell Pristine supercell
    ai4materials.utils.utils_crystals.create_vacancies Supercell with vacancies
    ai4materials.utils.utils_plotting
    ai4materials.utils.utils_vol_data
    ai4materials.visualization
    ai4materials.wrappers.calc_descriptor-example Function to calculate a descriptor given a crystal structure.
 
c
conf