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Datasets:
Pixelatory
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GDB-11

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webdataset
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Tags:
chemistry
biology
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Dataset card Data Studio Files Community
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Nicholas Aksamit commited on
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0473cc5
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1 Parent(s): 5c2d03b

Update README.md

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  26,425,839 samples.
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- Contains only the unique, canonicalized SMILES molecules in a CSV format (after extracting), from the original "Entire GDB-11" dataset found at https://gdb.unibe.ch/downloads/.
 
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  26,425,839 samples.
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+ Contains only the unique, RDKit canonicalized SMILES molecules in a CSV format (after extracting), from the original "Entire GDB-11" dataset found at https://gdb.unibe.ch/downloads/.