8 citations · 24 across the 7 of their papers we have counts for
4 papers · 1 filter
3D-GSRD: 3D Molecular Graph Auto-Encoder with Selective Re-mask Decoding
Chang Wu, Zhiyuan Liu, Wen Shu +6
Masked graph modeling (MGM) is a promising approach for molecular representation learning (MRL).However, extending the success of re-mask decoding from 2D to 3D MGM is non-trivial,…
Towards Unified and Lossless Latent Space for 3D Molecular Latent Diffusion Modeling
Yanchen Luo, Zhiyuan Liu, Yi Zhao +6
3D molecule generation is crucial for drug discovery and material science, requiring models to process complex multi-modalities, including atom types, chemical bonds, and 3D coordi…
Text-guided Diffusion Model for 3D Molecule Generation
Yanchen Luo, Junfeng Fang, Sihang Li +5
The de novo generation of molecules with targeted properties is crucial in biology, chemistry, and drug discovery. Current generative models are limited to using single property va…
Towards 3D Molecule-Text Interpretation in Language Models
Sihang Li, Zhiyuan Liu, Yanchen Luo +5
Language Models (LMs) have greatly influenced diverse domains. However, their inherent limitation in comprehending 3D molecular structures has considerably constrained their potent…