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README.md
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@@ -105,7 +105,9 @@ ds = load_dataset("yairschiff/qm9")
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# https://moleculenet.org/datasets-1
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test_size = 0.1
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seed = 1
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```
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# https://moleculenet.org/datasets-1
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test_size = 0.1
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seed = 1
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ds.train_test_split(test_size=test_size, seed=seed)
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# Use `ds['canonical_smiles']` from `rdkit` as inputs.
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```
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