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Derify 's Collections
ChemRanker-Alpha
ModChemBERT
ChemMRL
ChemBERTa
Augmented Canonical SMILES datasets
SAFE Datasets
Benchmarking Datasets

SAFE Datasets

updated Jan 1

SAFE (Sequential Attachment-based Fragment Embedding) representation datasets with corresponding SMILES strings

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  • Derify/safe_druglike_QED_Pfizer_11m

    Viewer • Updated Jan 1 • 11.4M • 18

  • Derify/safe_pubchem_10m

    Viewer • Updated Feb 24, 2025 • 10.2M • 22

  • Derify/safe_druglike_QED_33m

    Viewer • Updated Feb 24, 2025 • 33.6M • 61
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