Nicholas Aksamit commited on
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Create README.md

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+ ---
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+ tags:
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+ - chemistry
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+ - biology
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+ size_categories:
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+ - 10M<n<100M
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+ ---
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+
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+ 49,999,990 samples.
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+
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+ Contains only the unique, RDKit canonicalized SMILES molecules in a CSV format (after extracting), from the original "GDB-17-Set" dataset found at https://gdb.unibe.ch/downloads/.