Datasets:
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README.md
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- **Y** (`float32`): binding affinity value in pKd.
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- **Drug** (`string`): Ligand sequence (i.e., SMILES string).
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- **Target** (`string`): Protein sequence (i.e., sequence of amino acids).
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### Dataset Sources
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- **MCL1**:
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- **Mpro**:
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- **SYK**:
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## Uses
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- `MCL1`
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- `Mpro`
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- `SYK`
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Notice that all datasets only have one split (`train`). This is intentional such that the users can define their own splits, and can experiment with more random seeds for robustness.
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We highly recommend checking out different strategies for splitting the data (e.g., BindingDB) in [our BALM code repository](https://github.com/meyresearch/BALM/blob/refactor/balm/datasets/bindingdb_filtered.py#L157-L169).
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- **Y** (`float32`): binding affinity value in pKd.
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- **Drug** (`string`): Ligand sequence (i.e., SMILES string).
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- **Target** (`string`): Protein sequence (i.e., sequence of amino acids).
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- **USP7**:
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- **Index** (`string`): Index of the ligand-target pair.
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- **Y** (`float32`): binding affinity value in pKd.
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- **Drug** (`string`): Ligand sequence (i.e., SMILES string).
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- **Target** (`string`): Protein sequence (i.e., sequence of amino acids).
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### Dataset Sources
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- **MCL1**:
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- **Mpro**:
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- **SYK**:
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- **USP7**:
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## Uses
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- `MCL1`
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- `Mpro`
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- `SYK`
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- `USP7`
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Notice that all datasets only have one split (`train`). This is intentional such that the users can define their own splits, and can experiment with more random seeds for robustness.
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We highly recommend checking out different strategies for splitting the data (e.g., BindingDB) in [our BALM code repository](https://github.com/meyresearch/BALM/blob/refactor/balm/datasets/bindingdb_filtered.py#L157-L169).
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