中国科学院计算技术研究所机构知识库

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	A deep learning model for structure-based bioactivity optimization and its application in the bioactivity optimization of a SARS-CoV-2 main protease inhibitor 期刊论文 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2025, 卷号: 291, 页码: 16 作者:  Yang, Zhenyu;  Wang, Kai;  Zhang, Guo;  Jiang, Yuanyuan;  Zeng, Rui;  Qiao, Jingxin;  Li, Yueyue;  Deng, Xinyue;  Xia, Ziyi;  Yao, Rui;  Zeng, Xiaoxi;  Zhang, Liyun;  Zhao, Yi;  Lei, Jian;  Chen, Runsheng 收藏  |  浏览/下载：7/0  |  提交时间：2025/06/25 Structure-based bioactivity optimization  Deep-learning model  SARS-CoV-2 main protease  Molecular scaffold  Pocket-StrMod
	DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2025, 卷号: 21, 期号: 9, 页码: 4375-4385 作者:  Zeng, Jinzhe;  Zhang, Duo;  Peng, Anyang;  Zhang, Xiangyu;  He, Sensen;  Wang, Yan;  Liu, Xinzijian;  Bi, Hangrui;  Li, Yifan;  Cai, Chun;  Zhang, Chengqian;  Du, Yiming;  Zhu, Jia-Xin;  Mo, Pinghui;  Huang, Zhengtao;  Zeng, Qiyu;  Shi, Shaochen;  Qin, Xuejian;  Yu, Zhaoxi;  Luo, Chenxing;  Ding, Ye;  Liu, Yun-Pei;  Shi, Ruosong;  Wang, Zhenyu;  Bore, Sigbjorn Loland;  Chang, Junhan;  Deng, Zhe;  Ding, Zhaohan;  Han, Siyuan;  Jiang, Wanrun;  Ke, Guolin;  Liu, Zhaoqing;  Lu, Denghui;  Muraoka, Koki;  Oliaei, Hananeh;  Singh, Anurag Kumar;  Que, Haohui;  Xu, Weihong;  Xu, Zhangmancang;  Zhuang, Yong-Bin;  Dai, Jiayu;  Giese, Timothy J.;  Jia, Weile;  Xu, Ben;  York, Darrin M.;  Zhang, Linfeng;  Wang, Han 收藏  |  浏览/下载：5/0  |  提交时间：2025/06/25
	scCompass: An Integrated Multi-Species scRNA-seq Database for AI-Ready 期刊论文 ADVANCED SCIENCE, 2025, 页码: 16 作者:  Wang, Pengfei;  Liu, Wenhao;  Wang, Jiajia;  Liu, Yana;  Li, Pengjiang;  Xu, Ping;  Cui, Wentao;  Zhang, Ran;  Long, Qingqing;  Hu, Zhilong;  Fang, Chen;  Dong, Jingxi;  Zhang, Chunyang;  Chen, Yan;  Wang, Chengrui;  Liu, Guole;  Xie, Hanyu;  Zhang, Yiyang;  Xiao, Meng;  Chen, Shubai;  Jiang, Haiping;  Chen, Yiqiang;  Yang, Ge;  Zhang, Shihua;  Meng, Zhen;  Wang, Xuezhi;  Feng, Guihai;  Li, Xin;  Zhou, Yuanchun 收藏  |  浏览/下载：5/0  |  提交时间：2025/06/25 AI-ready  multi-species  scRNA-seq database  single-cell
	Text-guided multimodal depression detection via cross-modal feature reconstruction and decomposition 期刊论文 INFORMATION FUSION, 2025, 卷号: 117, 页码: 10 作者:  Chen, Ziqiang;  Wang, Dandan;  Lou, Liangliang;  Zhang, Shiqing;  Zhao, Xiaoming;  Jiang, Shuqiang;  Yu, Jun;  Xiao, Jun 收藏  |  浏览/下载：0/0  |  提交时间：2025/06/25 Depression detection  Cross-modal feature reconstruction  Feature decomposition  Multimodal fusion
	Digital twin system for manufacturing processes based on a multi-layer knowledge graph model 期刊论文 SCIENTIFIC REPORTS, 2025, 卷号: 15, 期号: 1, 页码: 14 作者:  Su, Chang;  Tang, Xin;  Jiang, Qi;  Han, Yong;  Wang, Tao;  Jiang, Dongsheng 收藏  |  浏览/下载：3/0  |  提交时间：2025/06/25 Digital twin  Knowledge graph  Intelligent manufacturing  Data integration  Manufacturing process management  Decision support
	Integrated Ultra-Wideband Tunable Fourier Domain Mode-Locked Optoelectronic Oscillator 期刊论文 LASER & PHOTONICS REVIEWS, 2025, 页码: 9 作者:  Han, Zhen;  Wang, Liheng;  Zheng, Yong;  Zhang, Pu;  Jiang, Yongheng;  Zhou, Xudong;  Yuan, Mingrui;  Low, Mei Xian;  Dubey, Aditya;  Nguyen, Thach Giang;  Boes, Andreas;  Hao, Qinfen;  Xiao, Huifu;  Ren, Guanghui;  Mitchell, Arnan;  Tian, Yonghui 收藏  |  浏览/下载：5/0  |  提交时间：2025/06/25 Fourier domain mode-locked (FDML)  integrated microwave photonics (IMWP)  lithium niobate on insulator (LNOI)  optoelectronic oscillator (OEO)
	Accelerate Point Cloud Structuring for Deep Neural Networks via Fast Spatial-Searching Tree 期刊论文 IEEE TRANSACTIONS ON CIRCUITS AND SYSTEMS FOR VIDEO TECHNOLOGY, 2025, 卷号: 35, 期号: 3, 页码: 2570-2585 作者:  Zhan, Jinyu;  Zou, Shiyu;  Jiang, Wei;  Zhang, Youyuan;  Peng, Suidi;  Wang, Ying 收藏  |  浏览/下载：3/0  |  提交时间：2025/06/25 Deep neural networks  point cloud structuring  fast spatial-searching tree  sampling  neighbor query  acceleration  Deep neural networks  point cloud structuring  fast spatial-searching tree  sampling  neighbor query  acceleration
	Resistive memory-based zero-shot liquid state machine for multimodal event data learning 期刊论文 NATURE COMPUTATIONAL SCIENCE, 2025, 卷号: 5, 期号: 1, 页码: 37-47 作者:  Lin, Ning;  Wang, Shaocong;  Li, Yi;  Wang, Bo;  Shi, Shuhui;  He, Yangu;  Zhang, Woyu;  Yu, Yifei;  Zhang, Yue;  Zhang, Xinyuan;  Wong, Kwunhang;  Wang, Songqi;  Chen, Xiaoming;  Jiang, Hao;  Zhang, Xumeng;  Lin, Peng;  Xu, Xiaoxin;  Qi, Xiaojuan;  Wang, Zhongrui;  Shang, Dashan;  Liu, Qi;  Liu, Ming 收藏  |  浏览/下载：5/0  |  提交时间：2025/06/25
	DPA-2: a large atomic model as a multi-task learner 期刊论文 NPJ COMPUTATIONAL MATERIALS, 2024, 卷号: 10, 期号: 1, 页码: 15 作者:  Zhang, Duo;  Liu, Xinzijian;  Zhang, Xiangyu;  Zhang, Chengqian;  Cai, Chun;  Bi, Hangrui;  Du, Yiming;  Qin, Xuejian;  Peng, Anyang;  Huang, Jiameng;  Li, Bowen;  Shan, Yifan;  Zeng, Jinzhe;  Zhang, Yuzhi;  Liu, Siyuan;  Li, Yifan;  Chang, Junhan;  Wang, Xinyan;  Zhou, Shuo;  Liu, Jianchuan;  Luo, Xiaoshan;  Wang, Zhenyu;  Jiang, Wanrun;  Wu, Jing;  Yang, Yudi;  Yang, Jiyuan;  Yang, Manyi;  Gong, Fu-Qiang;  Zhang, Linshuang;  Shi, Mengchao;  Dai, Fu-Zhi;  York, Darrin M.;  Liu, Shi;  Zhu, Tong;  Zhong, Zhicheng;  Lv, Jian;  Cheng, Jun;  Jia, Weile;  Chen, Mohan;  Ke, Guolin;  Weinan, E.;  Zhang, Linfeng;  Wang, Han 收藏  |  浏览/下载：6/0  |  提交时间：2025/06/25
	Cognitive digital twin in manufacturing process: integrating the knowledge graph for enhanced human-centric Industry 5.0 期刊论文 INTERNATIONAL JOURNAL OF PRODUCTION RESEARCH, 2024, 页码: 22 作者:  Su, Chang;  Tang, Xin;  Han, Yong;  Wang, Tao;  Jiang, Dongsheng 收藏  |  浏览/下载：3/0  |  提交时间：2025/06/25 Cognitive digital twin  knowledge graph  intelligent manufacturing  Industry 5.0  human-machine collaboration  decision support  Cognitive digital twin  knowledge graph  intelligent manufacturing  Industry 5.0  human-machine collaboration  decision support