LICENSE
README.md
setup.cfg
setup.py
proteinshake/__init__.py
proteinshake.egg-info/PKG-INFO
proteinshake.egg-info/SOURCES.txt
proteinshake.egg-info/dependency_links.txt
proteinshake.egg-info/requires.txt
proteinshake.egg-info/top_level.txt
proteinshake/datasets/__init__.py
proteinshake/datasets/alphafold.py
proteinshake/datasets/dataset.py
proteinshake/datasets/enzyme_commission.py
proteinshake/datasets/gene_ontology.py
proteinshake/datasets/protein_family.py
proteinshake/datasets/protein_ligand_decoys.py
proteinshake/datasets/protein_ligand_interface.py
proteinshake/datasets/protein_protein_interface.py
proteinshake/datasets/rcsb.py
proteinshake/datasets/scop.py
proteinshake/datasets/tm_align.py
proteinshake/frameworks/__init__.py
proteinshake/frameworks/dataset.py
proteinshake/frameworks/dgl.py
proteinshake/frameworks/np.py
proteinshake/frameworks/nx.py
proteinshake/frameworks/pyg.py
proteinshake/frameworks/tf.py
proteinshake/frameworks/torch.py
proteinshake/representations/__init__.py
proteinshake/representations/graph.py
proteinshake/representations/point.py
proteinshake/representations/voxel.py
proteinshake/tasks/__init__.py
proteinshake/tasks/binding_site_detection.py
proteinshake/tasks/enzyme_class.py
proteinshake/tasks/gene_ontology.py
proteinshake/tasks/ligand_affinity.py
proteinshake/tasks/pfam_task.py
proteinshake/tasks/protein_protein_interface.py
proteinshake/tasks/structural_class.py
proteinshake/tasks/structure_search.py
proteinshake/tasks/structure_similarity.py
proteinshake/tasks/task.py
proteinshake/tasks/virtual_screen.py
proteinshake/transforms/__init__.py
proteinshake/transforms/coords.py
proteinshake/transforms/transforms.py
proteinshake/utils/__init__.py
proteinshake/utils/embeddings.py
proteinshake/utils/io.py
proteinshake/utils/similarity.py
tests/__init__.py
tests/test_datasets.py
tests/test_frameworks.py
tests/test_preprocess.py
tests/test_tasks.py
tests/test_transforms.py