Datasets:
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README.md
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## Data Fields
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Each entry typically includes:
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## Source Data
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## Data Fields
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Each entry typically includes:
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| Field | Description |
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| `sequence` | Enzyme amino acid sequence |
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| `sequence_source` | Source of the sequence |
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| `uniprot` | UniProt identifier |
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| `substrate_smiles` | Substrate chemical structure in SMILES format |
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| `value` | Raw measured kinetic parameter value |
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| `log10_value` | Log10-transformed kinetic value (use this for modeling) |
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| `log10km_mean` | Log10 mean Km value for the enzyme-substrate pair |
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| `temperature` | Assay temperature (°C) |
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| `ph` | Assay pH |
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| `ec` | Enzyme Commission (EC) number |
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| `taxonomy_id` | NCBI taxonomy ID of the source organism |
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| `group` | Train/val/test split assignment |
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| `pdbpath` | Path to associated PDB structural file (if available) |
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| `sequence_40cluster` | Sequence cluster ID at 40% identity threshold |
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| `sequence_60cluster` | Sequence cluster ID at 60% identity threshold |
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| `sequence_80cluster` | Sequence cluster ID at 80% identity threshold |
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| `sequence_99cluster` | Sequence cluster ID at 99% identity threshold |
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## Source Data
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