3 citations · 5 across the 4 of their papers we have counts for
8 papers
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,…
PRING: Rethinking Protein-Protein Interaction Prediction from Pairs to Graphs
Xinzhe Zheng, Hao Du, Fanding Xu +9
Deep learning-based computational methods have achieved promising results in predicting protein-protein interactions (PPIs). However, existing benchmarks predominantly focus on iso…
Search and Refine During Think: Facilitating Knowledge Refinement for Improved Retrieval-Augmented Reasoning
Yaorui Shi, Sihang Li, Chang Wu +5
Large language models have demonstrated impressive reasoning capabilities but are inherently limited by their knowledge reservoir. Retrieval-augmented reasoning mitigates this limi…
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…
Language-Enhanced Representation Learning for Single-Cell Transcriptomics
Yaorui Shi, Jiaqi Yang, Changhao Nai +5
Single-cell RNA sequencing (scRNA-seq) offers detailed insights into cellular heterogeneity. Recent advancements leverage single-cell large language models (scLLMs) for effective r…
NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation
Zhiyuan Liu, Yanchen Luo, Han Huang +7
3D molecule generation is crucial for drug discovery and material design. While prior efforts focus on 3D diffusion models for their benefits in modeling continuous 3D conformers,…
Intelligent System for Automated Molecular Patent Infringement Assessment
Yaorui Shi, Sihang Li, Taiyan Zhang +12
Automated drug discovery offers significant potential for accelerating the development of novel therapeutics by substituting labor-intensive human workflows with machine-driven pro…
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…