Latest Research

A Deep Learning Approach for Rational Ligand Generation with Toxicity Control via Reactive Building Blocks

Nature Computational Science
(2024 Nature 子刊)

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A Molecular Video-derived Foundation Model Streamlines Scientific Drug Discovery

Nature Communications,2024
(Nature 子刊)

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A Foundation Model Identifies Broad-Spectrum Antimicrobial Peptides against Drug-Resistant Bacterial Infection

Nature Communications
(2024 Nature 子刊)

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HydrogelFinder: A Foundation Model for Efficient Self-Assembling Peptide Discovery Guided by Non-Peptidal Small Molecules

Advanced Science

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An Image-enhanced Molecular Graph Representation Learning Framework

IJCAI 2024
(CCF A)

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Interformer: an interaction-aware model for protein-ligand docking and affinity prediction

Nature Communications
(Nature 子刊 2024)

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关注人工智能与化学、生物、药学和医学的交叉领域进展,提供“原创、专业、实例”的解读分享。2021年4月,入选“2020学术公众号100强”。

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我们的研究方向主要有计算智能,知识图谱,生物医疗大数据,智慧城市,人工智能、数据挖掘、生物信息学和药物发现。欢迎加入我们的课题组。

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天河制药平台

天河智药基于长沙超算中心打造的基于人工智能的药物发现平台,围绕药物发现的整个生命周期,结合生物医药与人工智能技术进行药物发现关键技术的研究,供综合全面的药物研发支撑服务和解决方案。