Add processed QM9, GEOM-Drugs, and ChEMBL3D caches (part 2)
Browse files- chembl3d_max100/processed/train_data.lmdb/data.mdb +3 -0
- chembl3d_max100/processed/train_smiles.txt +3 -0
- chembl3d_max100/processed/train_source_indices.npy +3 -0
- chembl3d_max100/processed/val_data.lmdb/data.mdb +3 -0
- chembl3d_max100/processed/val_smiles.txt +0 -0
- chembl3d_max100/processed/val_source_indices.npy +3 -0
- chembl3d_max100_implicit_h/processed/atom_tokens.txt +12 -0
- chembl3d_max100_implicit_h/processed/charge_tokens.txt +3 -0
- chembl3d_max100_implicit_h/processed/distributions.pt +3 -0
- chembl3d_max100_implicit_h/processed/edge_tokens.txt +4 -0
- chembl3d_max100_implicit_h/processed/preprocessing_summary.json +243 -0
- chembl3d_max100_implicit_h/processed/test_data.lmdb/data.mdb +3 -0
- chembl3d_max100_implicit_h/processed/test_smiles.txt +0 -0
- chembl3d_max100_implicit_h/processed/test_source_indices.npy +3 -0
- chembl3d_max100_implicit_h/processed/train_data.lmdb/data.mdb +3 -0
- chembl3d_max100_implicit_h/processed/train_smiles.txt +3 -0
- chembl3d_max100_implicit_h/processed/train_source_indices.npy +3 -0
- chembl3d_max100_implicit_h/processed/val_data.lmdb/data.mdb +3 -0
- chembl3d_max100_implicit_h/processed/val_smiles.txt +0 -0
- chembl3d_max100_implicit_h/processed/val_source_indices.npy +3 -0
chembl3d_max100/processed/train_data.lmdb/data.mdb
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chembl3d_max100/processed/train_smiles.txt
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chembl3d_max100/processed/train_source_indices.npy
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chembl3d_max100/processed/val_data.lmdb/data.mdb
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version https://git-lfs.github.com/spec/v1
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chembl3d_max100/processed/val_smiles.txt
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chembl3d_max100/processed/val_source_indices.npy
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chembl3d_max100_implicit_h/processed/atom_tokens.txt
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chembl3d_max100_implicit_h/processed/charge_tokens.txt
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chembl3d_max100_implicit_h/processed/distributions.pt
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size 89925
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chembl3d_max100_implicit_h/processed/edge_tokens.txt
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chembl3d_max100_implicit_h/processed/preprocessing_summary.json
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| 1 |
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{
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| 2 |
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"source_root": "/cluster/project/krause/frankem/morph-chem/data/chembl3d_max100",
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chembl3d_max100_implicit_h/processed/test_data.lmdb/data.mdb
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chembl3d_max100_implicit_h/processed/test_source_indices.npy
ADDED
|
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chembl3d_max100_implicit_h/processed/train_data.lmdb/data.mdb
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chembl3d_max100_implicit_h/processed/val_source_indices.npy
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|
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