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cs.LG2024★ 1 cited
Molecular Graph Representation Learning Integrating Large Language Models with Domain-specific Small Models
Tianyu Zhang, Yuxiang Ren, Chengbin Hou +2
Molecular property prediction is a crucial foundation for drug discovery. In recent years, pre-trained deep learning models have been widely applied to this task. Some approaches t…
cs.LG2024
Sculpting Molecules in Text-3D Space: A Flexible Substructure Aware Framework for Text-Oriented Molecular Optimization
Kaiwei Zhang, Yange Lin, Guangcheng Wu +5
The integration of deep learning, particularly AI-Generated Content, with high-quality data derived from ab initio calculations has emerged as a promising avenue for transforming t…