/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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