21 citations · 27 across the 3 of their papers we have counts for
3 papers
cs.CL2024★ 1 cited
Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model
Peng Zhou, Jianmin Wang, Chunyan Li +11
While various models and computational tools have been proposed for structure and property analysis of molecules, generating molecules that conform to all desired structures and pr…
q-bio.QM2023★ 5 cited
DrugAssist: A Large Language Model for Molecule Optimization
Geyan Ye, Xibao Cai, Houtim Lai +5
Recently, the impressive performance of large language models (LLMs) on a wide range of tasks has attracted an increasing number of attempts to apply LLMs in drug discovery. Howeve…
cs.LG2022★ 21 cited
DrugOOD: Out-of-Distribution (OOD) Dataset Curator and Benchmark for AI-aided Drug Discovery -- A Focus on Affinity Prediction Problems with Noise Annotations
Yuanfeng Ji, Lu Zhang, Jiaxiang Wu +16
AI-aided drug discovery (AIDD) is gaining increasing popularity due to its promise of making the search for new pharmaceuticals quicker, cheaper and more efficient. In spite of its…