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A Barcelona research institute pairing hospital and university groups to study pediatric disease, mental health, cancer, and rare genetic disorders.
Universitat Politècnica de Catalunya / CIBER-BBN / Institut de Recerca Sant Joan de Déu / Technical University of Munich / TU Dresden
Released October 31, 2024
SMILES transformer pretrained to predict 113 RDKit molecular descriptors, giving embeddings that carry physicochemical properties into ADMET models.