atlas.active_learning package

Subpackages

• atlas.active_learning.extrapolation package
  • Submodules
  • atlas.active_learning.extrapolation.autoencoder module
    • Autoencoder
      • Autoencoder.encoder
      • Autoencoder.decoder
      • Autoencoder.forward()
    • evaluate_reconstruction()
    • get_latent_space_autoencoder()
    • load_autoencoder_model()
    • locate_standarization_files()
  • atlas.active_learning.extrapolation.autoencoder_tools_aiida module
    • GetConcaveHullCalculation
      • GetConcaveHullCalculation.define()
      • GetConcaveHullCalculation.prepare_for_submission()
    • GetConcaveHullCalculationParser
      • GetConcaveHullCalculationParser.parse()
    • GetLatentSpaceAutoencoderCalculation
      • GetLatentSpaceAutoencoderCalculation.define()
      • GetLatentSpaceAutoencoderCalculation.prepare_for_submission()
    • GetLatentSpaceAutoencoderCalculationParser
      • GetLatentSpaceAutoencoderCalculationParser.parse()
    • TrainAutoencoderCalculation
      • TrainAutoencoderCalculation.define()
      • TrainAutoencoderCalculation.prepare_for_submission()
    • TrainAutoencoderCalculationParser
      • TrainAutoencoderCalculationParser.parse()
    • prepare_cli_args_autoencoder()
  • atlas.active_learning.extrapolation.concave_hull module
    • alpha_shape()
    • check_atom_in_domain()
    • check_traj_in_domain()
    • get_concave_hull_python()
    • get_optimized_concave_hull()
    • plot_concave_hull()
  • atlas.active_learning.extrapolation.morphological_closing module
    • create_image_mask()
    • extract_boundaries_from_mask()
    • filter_points_by_mask()
    • process_morphological_closing()
  • atlas.active_learning.extrapolation.quadtree module
    • QuadTree
      • QuadTree.find_dense_leaves()
      • QuadTree.find_dense_leaves_density()
      • QuadTree.insert()
      • QuadTree.subdivide()
    • Rectangle
      • Rectangle.contains()
      • Rectangle.get_area()
      • Rectangle.h
      • Rectangle.w
      • Rectangle.x
      • Rectangle.xmax
      • Rectangle.xmin
      • Rectangle.y
      • Rectangle.ymax
      • Rectangle.ymin
    • check_if_points_in_polygons()
    • separate_clusters()
    • setup_quadtree()
    • visualize_quadtree()
  • atlas.active_learning.extrapolation.train_autoencoder module
    • return_dataset_loader()
    • run_training()
    • safe_to_gpu()
    • split_dataset()
    • train_loop()
    • val_loop()
  • Module contents

Submodules

atlas.active_learning.active_learning_utils module

atlas.active_learning.conversion module

atlas.active_learning.mace_tools_aiida module

atlas.active_learning.report_utils module

Module contents

ATLAS active learning functions and utilities.