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研究项目

化学反应预测

利用量子化学计算方法生成数据,并利用这些数据训练人工智能模型,预测反应产物。

药物设计

利用计算化学与人工智能方法设计小分子药物和抗体药物。

全细胞模型

融合多组学数据,建立基于数据的全细胞模型,预测外来分子与细胞的相互作用。

近期成果展示

Biomacromolecules
Enhancing Protein Solubility via Glycosylation: From Chemical Synthesis to Machine Learning Predictions
J. Chem. Inf. Model
DeepP450: Predicting Human P450 Activities of Small Molecules by Integrating Pretrained Protein Language Model and Molecular Representation

成员


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boxue
田博学
副教授

boxuetian@mail.tsinghua.edu.cn


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常嘉敏_头像
常嘉敏
博士后

    changjm1111@163.com    


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贾蕊桢_头像
贾蕊桢
博士后

ruizhenjia@mail.tsinghua.edu.cn


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张蓉
张蓉
2018级博士生

zhangr18@mails.tsinghua.edu.cn


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熊小亮
2020级博士生

xxl20@mails.tsinghua.edu.cn


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陈和地
2021级博士生

chenhd21@mails.tsinghua.edu.cn


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qk
邱轲
2021级博士生

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1
田阳
2021级博士生

tiany21@mails.tsinghua.edu.cn


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zxc
张孝春
2022级博士生

zhangxc22@mails.tsinghua.edu.cn


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陈靖轲
2022级博士生

chenjk22@mails.tsinghua.edu.cn


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钟憬锐
钟憬锐
2022级博士生

zhongjr22@mails.tsinghua.edu.cn


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苏子栋
2022级博士生

szd22@mails.tsinghua.edu.cn


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gl
郭林
2023级博士生

gl23@mails.tsinghua.edu.cn


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张宇明
张宇明
2023级博士生

   ymzhang_thu@163.com    


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范逍宇
2024级博士生

fan-xy19@mails.tsinghua.edu.cn


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劳嘉欣
劳嘉欣
2024级博士生

      jx235711@gmail.com       

毕业成员


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博士后

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本科生

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本科生

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2019级硕士生

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本科生

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本科生

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本科生

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本科生

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本科生