2024

Text-Guided Molecule Generation with Diffusion Language Model

Gong, Haisong, Liu, Qiang, Wu, Shu et al.

Understand

Text-guided molecule generation is a task where molecules are generated to match specific textual descriptions.

  • Recently, most existing SMILES-based molecule generation methods rely on an autoregressive architecture.
  • In this work, we propose the Text-Guided Molecule Generation with Diffusion Language Model (TGM-DLM), a novel approach that leverages diffusion models to address the limitations of autoregressive methods.
  • TGM-DLM updates token embeddings within the SMILES string collectively and iteratively, using a two-phase diffusion generation process.

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