InferenceDF2.py
LICENSE.md
MANIFEST.in
MainDF2.py
README.md
pyproject.toml
setup.py
collagen/.DS_Store
collagen/__init__.py
collagen/args_defaults.py
collagen/checkpoints.py
collagen/draw.py
collagen/main.py
collagen/util.py
collagen/apps/.DS_Store
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collagen/apps/easy_app.py.exclude_from_git_for_now
collagen/apps/splits_for_testing.json
collagen/apps/deepfrag/AggregationOperators.py
collagen/apps/deepfrag/README.md.exclude_from_git_for_now
collagen/apps/deepfrag/__init__.py
collagen/apps/deepfrag/defaults.json
collagen/apps/deepfrag/model.py
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collagen/apps/deepfrag/run.py
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collagen/apps/deepfrag/example_data/5VUP_lig_955.sdf
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collagen/external/common/parent_targets_ligands.py
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collagen/external/moad/chem_props.py.old
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collagen/external/moad/targets_ligands.py
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collagen/external/paired_csv/interface.py
collagen/external/paired_csv/targets_ligands.py
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collagen/model_parents/moad_voxel/__init__.py
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collagen/model_parents/moad_voxel/inference.py
collagen/model_parents/moad_voxel/inference_multiple_complexes.py
collagen/model_parents/moad_voxel/inference_single_complex.py
collagen/model_parents/moad_voxel/inits.py
collagen/model_parents/moad_voxel/moad_voxel.py
collagen/model_parents/moad_voxel/test.py
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deepfrag2.egg-info/PKG-INFO
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molbert/.DS_Store
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molbert/py.typed
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