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README_CELL5.md
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# 🌌 Cell 5: Quantum Metabolomics & Compounds
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## Statistics
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- **Version**: v10.0.0
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- **Total Records (All Runs)**: 417
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- **RDKit Enabled (
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- **Last Updated**: 2025-11-12
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## Data Access
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###
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```python
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from datasets import load_dataset
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dataset = load_dataset(
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# (dataset contains 417 records)
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```
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###
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```python
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from datasets import load_dataset
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splits = load_dataset(
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## Data Sources (All Runs)
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| Collector Source | Category | Records |
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| :--- | :--- | ---: |
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| chembl |
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| uniprot |
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| kegg |
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| bigg |
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## Schema
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This dataset uses an **Extended Schema** with 49 fields, including `cid`, `inchikey`, `canonical_smiles`, `molecular_weight`, etc.
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# 🌌 Cell 5: Quantum Metabolomics & Compounds
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This README documents the data collected by **Cell 5**, which runs in the isolated `cell5_metabolomics` config to prevent schema conflicts with Cells 1-4.
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This dataset uses an **Extended Schema** (49 fields) to include detailed chemical properties.
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## Statistics
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- **Version**: v10.0.0
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- **Total Records (All Runs)**: 417
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- **RDKit Enabled (Last Run)**: ⚠️ No
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- **Last Updated**: 2025-11-12
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## Data Access
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Data is separated into raw data (one 'train' split) and processed splits (train/val/test).
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### 1. Load All Raw Data (Recommended)
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```python
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from datasets import load_dataset
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dataset = load_dataset(
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# (dataset contains 417 records)
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```
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### 2. Load Processed Splits
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```python
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from datasets import load_dataset
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splits = load_dataset(
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## Data Sources (All Runs)
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| Collector Source | Category | Records |
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| :--- | :--- | ---: |
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| chembl | compound | 338 |
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| uniprot | enzyme | 70 |
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| kegg | compound | 7 |
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| bigg | metabolic_model | 2 |
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## Schema
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This dataset uses an **Extended Schema** with 49 fields, including `cid`, `inchikey`, `canonical_smiles`, `molecular_weight`, etc.
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