mekosotto commited on
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ebf1b60
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1 Parent(s): a13e268

docs(bbb): fix stale CSV mentions in run_pipeline + module docstrings

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  1. src/pipelines/bbb_pipeline.py +2 -2
src/pipelines/bbb_pipeline.py CHANGED
@@ -2,7 +2,7 @@
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  Reads the Kaggle BBBP dataset (SMILES strings + binary penetration label),
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  filters chemically invalid SMILES, computes Morgan circular fingerprints with
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- RDKit, and writes a model-ready feature table to `data/processed/`.
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  This module follows the Data Readiness contract in AGENTS.md §4:
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  schema validity, domain validity (drop invalid SMILES), determinism,
@@ -192,7 +192,7 @@ def run_pipeline(
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  n_bits: int = 2048,
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  radius: int = 2,
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  ) -> None:
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- """Run the BBB pipeline end-to-end: raw CSV → processed feature CSV.
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  Reads the Kaggle BBBP CSV at `input_path`, validates and converts
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  SMILES into Morgan fingerprints, and writes the model-ready table
 
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  Reads the Kaggle BBBP dataset (SMILES strings + binary penetration label),
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  filters chemically invalid SMILES, computes Morgan circular fingerprints with
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+ RDKit, and writes a model-ready Parquet feature table to `data/processed/`.
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  This module follows the Data Readiness contract in AGENTS.md §4:
8
  schema validity, domain validity (drop invalid SMILES), determinism,
 
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  n_bits: int = 2048,
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  radius: int = 2,
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  ) -> None:
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+ """Run the BBB pipeline end-to-end: raw CSV → processed feature Parquet.
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  Reads the Kaggle BBBP CSV at `input_path`, validates and converts
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  SMILES into Morgan fingerprints, and writes the model-ready table