Academic

Universitat Politècnica de Catalunya

A public technical university in Barcelona spanning engineering, architecture, computing, and mathematics, with groups in biomedical data science.

Location: Barcelona, Spain
Website
1 model(1 Small molecule, 1 Language model)

Models (1)

Smile-to-Bert

Universitat Politècnica de Catalunya / CIBER-BBN / Institut de Recerca Sant Joan de Déu / Technical University of Munich / TU Dresden

Released October 31, 2024

16

SMILES transformer pretrained to predict 113 RDKit molecular descriptors, giving embeddings that carry physicochemical properties into ADMET models.

Small moleculeLanguage model