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README.md
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## How to use the data sets
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This dataset contains more about 60,000 unique pairs of protein sequences and ligand SMILES, and the coordinates
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of their complexes from the PDB.
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SMILES are assumed to be tokenized by the regex from P. Schwaller.
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Every receptor coordinate maps onto the Calpha coordinate of that residue.
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The dataset can be used to fine-tune a language model
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## Ligand selection criteria
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## How to use the data sets
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This dataset contains more about 60,000 unique pairs of protein sequences and ligand SMILES, and the coordinates
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of their complexes from the PDB.
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SMILES are assumed to be tokenized by the regex from P. Schwaller.
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Every receptor coordinate maps onto the Calpha coordinate of that residue.
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The dataset can be used to fine-tune a language model.
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## Ligand selection criteria
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