/tools/iupacGPT

iupacGPT

AspirinCode/iupacGPT

11 stars4 forksJupyter NotebookAdded February 4, 2026
summary

iupacGPT is a large-scale molecular pre-trained model that utilizes IUPAC nomenclature for property prediction and molecular generation. It employs transformer-based architectures to enhance the interpretability and performance of molecular tasks compared to traditional representations like SMILES.

description

IUPAC-based large-scale molecular pre-trained model for property prediction and molecular generation

topics

iupactransformermolecular-property-predictiongpt

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