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README.md
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* `smiles`: the [SMILES](https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system) representation of a molecule
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* `selfies`: the [SELFIES](https://github.com/aspuru-guzik-group/selfies) representation of a molecule
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* `target`:
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### Data Splits
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The dataset is split into an 80/10/10 train/valid/test split using
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### Source Data
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* `smiles`: the [SMILES](https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system) representation of a molecule
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* `selfies`: the [SELFIES](https://github.com/aspuru-guzik-group/selfies) representation of a molecule
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* `target`: Measured results (Active/Inactive) for bioassays
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### Data Splits
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The dataset is split into an 80/10/10 train/valid/test split using random split.
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### Source Data
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