Hydrolysis Datasets from HEPOM paper.
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Datasets from HEPOM Paper. Includes train/test sets from combined, neutral(qm9+alchemy), protonated, and hydroxylated datasets.
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2024-11-19
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Datasets from HEPOM Paper. Includes train/test sets from combined, neutral(qm9+alchemy), protonated, and hydroxylated datasets.