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README.md
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- split: test
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path: data/test-*
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- split: test
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path: data/test-*
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Reaction Condition Prediction Dataset (Solvent Prediction)
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- molecule representation format: 1D SMILES
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- will further encode into 2D graph features
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For Detail, refer to *PRESTO: Progressive Pretraining Enhances Synthetic Chemistry Outcomes*: https://arxiv.org/pdf/2406.13193
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