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README.md
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## How to use the data sets
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### Use the already preprocessed data
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Load a test/train split using
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validation = load_dataset("jglaser/binding_affinity",split='train[90%:]')
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```
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**Loading the data manually**
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The file `data/all.parquet` contains the preprocessed data. To extract it,
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## How to use the data sets
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This dataset contains 1.9M unique pairs of protein sequences and ligand SMILES with experimentally determined
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binding affinities. It can be used for fine-tuning a language model.
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The data comes from the following sources:
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- BindingDB
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- PDBbind-cn
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- BioLIP
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- BindingMOAD
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### Use the already preprocessed data
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Load a test/train split using
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validation = load_dataset("jglaser/binding_affinity",split='train[90%:]')
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```
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Optionally, datasets with certain protein sequences removed are available.
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These can be used to test the predictive power for specific proteins even when
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these are not part of the training data.
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- `train_no_kras` (no KRAS proteins)
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**Loading the data manually**
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The file `data/all.parquet` contains the preprocessed data. To extract it,
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