93 citations · 195 across the 16 of their papers we have counts for
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q-bio.BM2024
ControlMol: Adding Substructure Control To Molecule Diffusion Models
Qi Zhengyang, Liu Zijing, Zhang Jiying +2
Due to the vast design space of molecules, generating molecules conditioned on a specific sub-structure relevant to a particular function or therapeutic target is a crucial task in…
q-bio.BM2023★ 14 cited
InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery
He Cao, Zijing Liu, Xingyu Lu +2
The rapid evolution of artificial intelligence in drug discovery encounters challenges with generalization and extensive training, yet Large Language Models (LLMs) offer promise in…
q-bio.BM2023
Leveraging Side Information for Ligand Conformation Generation using Diffusion-Based Approaches
Jiamin Wu, He Cao, Yuan Yao
Ligand molecule conformation generation is a critical challenge in drug discovery. Deep learning models have been developed to tackle this problem, particularly through the use of…