LICENSE
README.md
pyproject.toml
duvidnn/__init__.py
duvidnn/autoclass.py
duvidnn/checkpoint_utils.py
duvidnn/hyperparameters.py
duvidnn.egg-info/PKG-INFO
duvidnn.egg-info/SOURCES.txt
duvidnn.egg-info/dependency_links.txt
duvidnn.egg-info/entry_points.txt
duvidnn.egg-info/requires.txt
duvidnn.egg-info/top_level.txt
duvidnn/base/__init__.py
duvidnn/base/aggregators.py
duvidnn/base/data.py
duvidnn/base/evaluation.py
duvidnn/base/information.py
duvidnn/base/modelbox_registry.py
duvidnn/base/modelboxes.py
duvidnn/base/training.py
duvidnn/base/typing.py
duvidnn/base/preprocessing/__init__.py
duvidnn/base/preprocessing/deep_functions.py
duvidnn/base/preprocessing/functions.py
duvidnn/base/preprocessing/registry.py
duvidnn/base/preprocessing/serializing.py
duvidnn/cli_module/__init__.py
duvidnn/cli_module/cli.py
duvidnn/cli_module/eval.py
duvidnn/cli_module/hyperprep.py
duvidnn/cli_module/io.py
duvidnn/cli_module/percentile.py
duvidnn/cli_module/predict.py
duvidnn/cli_module/split.py
duvidnn/cli_module/train.py
duvidnn/cli_module/utils.py
duvidnn/torch/__init__.py
duvidnn/torch/functions.py
duvidnn/torch/modelbox/__init__.py
duvidnn/torch/modelbox/data.py
duvidnn/torch/modelbox/information.py
duvidnn/torch/modelbox/modelboxes.py
duvidnn/torch/modelbox/training.py
duvidnn/torch/models/__init__.py
duvidnn/torch/models/bilinear.py
duvidnn/torch/models/cnn.py
duvidnn/torch/models/mlp.py
duvidnn/torch/models/chemprop/__init__.py
duvidnn/torch/models/chemprop/data.py
duvidnn/torch/models/chemprop/models.py
duvidnn/torch/models/utils/__init__.py
duvidnn/torch/models/utils/ensemble.py
duvidnn/torch/models/utils/lt.py
duvidnn/utils/__init__.py
duvidnn/utils/datasets.py
duvidnn/utils/lightning.py
duvidnn/utils/package_data.py
duvidnn/utils/plotting.py
duvidnn/utils/splitting/__init__.py
duvidnn/utils/splitting/bin_packing.py
duvidnn/utils/splitting/decorators.py
duvidnn/utils/splitting/disjoint_set.py
duvidnn/utils/splitting/faiss.py
duvidnn/utils/splitting/plot.py
duvidnn/utils/splitting/scaffold.py
duvidnn/utils/splitting/top_k.py
duvidnn/utils/splitting/utils.py
test/test_evaluation.py