Derify

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Cheminformatics | Chemical Language Models | Molecular Information Retrieval

Derify 's collections 7

Augmented Canonical SMILES datasets
A set of SMILES datasets canonicalized with RDKit and 33% randomly augmented for robust, diverse molecular ML training.
Augmented Canonical SMILES datasets
A set of SMILES datasets canonicalized with RDKit and 33% randomly augmented for robust, diverse molecular ML training.