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README.md CHANGED
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  ---
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  license: odc-by
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  task_categories:
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- - mask-generation
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  tags:
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  - chemistry
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  - smiles
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  # PubChem 10M - Augmented SMILES Dataset
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- This dataset is derived from the original **PubChem 10M** and has been **canonicalized using RDKit (2024.9.4)** to ensure structural consistency.
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- To enhance molecular diversity, **33% of the dataset was randomly sampled and augmented** using RDKit’s `Chem.MolToRandomSmilesVect` function, following an approach similar to NVIDIA’s **molmim** method for SMILES augmentation.
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  ### Dataset Overview:
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  - **Source:** PubChem 10M
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  - **Canonicalization:** RDKit (2024.9.4)
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  - **Augmentation:** Random SMILES generation for 33% of the original dataset
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- - **Total Entries:** **13M SMILES**
 
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  ---
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  license: odc-by
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  task_categories:
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+ - feature-extraction
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  tags:
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  - chemistry
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  - smiles
 
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  # PubChem 10M - Augmented SMILES Dataset
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+ This dataset is derived from the original PubChem 10M and has been canonicalized using RDKit (2024.9.4) to ensure structural consistency.
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+ To enhance molecular diversity, 33% of the dataset was randomly sampled and augmented using RDKit’s `Chem.MolToRandomSmilesVect` function, following an approach similar to NVIDIA’s *molmim* method for SMILES augmentation.
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  ### Dataset Overview:
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  - **Source:** PubChem 10M
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  - **Canonicalization:** RDKit (2024.9.4)
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  - **Augmentation:** Random SMILES generation for 33% of the original dataset
 
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