hheiden/PubChem-124M-SMILES-SELFIES-InChI-IUPAC download history

hheiden/PubChem-124M-SMILES-SELFIES-InChI-IUPAC is a text generation dataset on the Hugging Face Hub. In the last 30 days it was downloaded 948 times (255 in the last 7 days), and 11,110 times in total. It ranks #20,116 among datasets by monthly downloads.

PubChem-124M-Canonicalized-SELFIES-InChI-IUPAC Dataset Summary This dataset contains ~124 million chemical structures sourced from PubChem (as of Jan 2026), processed into a clean, machine-learning-ready Parquet format. Unlike raw XML/JSON dumps or standard CSVs, this dataset

Models trained on PubChem-124M-SMILES-SELFIES-InChI-IUPAC

1 models list it as training data.

Open hheiden/PubChem-124M-SMILES-SELFIES-InChI-IUPAC on Hugging Face

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