Datasets:
Marissa Dolorfino commited on
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Parent(s): c4c9024
readme
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README.md
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@@ -42,11 +42,31 @@ from datasets import load_dataset
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# Load the raw split
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raw_data = load_dataset("marissadolorfino/BELKA-DEL-ExperimentalData", 'raw')
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# Load the processed split
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processed_data = load_dataset("marissadolorfino/BELKA-DEL-ExperimentalData", 'processed')
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```
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### Data Collection
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The following queries were used to retrieve all Protein Data Bank (PDB) structures containing BRD4, sEH, or HSA with at least one bound small-molecule ligand:
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# Load the raw split
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raw_data = load_dataset("marissadolorfino/BELKA-DEL-ExperimentalData", 'raw')
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```
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Which should output the following if loaded correctly:
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```
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Downloading readme: 4.06kB [00:00, 10.0MB/s]
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Downloading data: 100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████| 2.37M/2.37M [00:00<00:00, 12.3MB/s]
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Generating train split: 20563 examples [00:00, 114183.04 examples/s]
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```
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```
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from datasets import load_dataset
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# Load the processed split
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processed_data = load_dataset("marissadolorfino/BELKA-DEL-ExperimentalData", 'processed')
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```
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Which should output the following if loaded correctly:
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```
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Downloading readme: 4.06kB [00:00, 21.5MB/s]
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Downloading data: 100%|█████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████| 766k/766k [00:00<00:00, 4.13MB/s]
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Generating train split: 2548 examples [00:00, 38587.25 examples/s]
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```
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### Data Collection
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The following queries were used to retrieve all Protein Data Bank (PDB) structures containing BRD4, sEH, or HSA with at least one bound small-molecule ligand:
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