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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：8/0  |  提交时间：2025/06/25
Structure-based bioactivity optimization  Deep-learning model  SARS-CoV-2 main protease  Molecular scaffold  Pocket-StrMod  
Dynamic Behavior Cloning With Temporal Feature Prediction: Enhancing Robotic Arm Manipulation in Moving Object Tasks 期刊论文
IEEE ROBOTICS AND AUTOMATION LETTERS, 2025, 卷号: 10, 期号: 6, 页码: 5209-5216
作者:  Zhang, Yifan;  Wang, Ruiping;  Chen, Xilin
收藏  |  浏览/下载：0/0  |  提交时间：2025/06/25
Cloning  Robots  Visualization  Trajectory  Predictive models  Dynamics  Three-dimensional displays  Manipulator dynamics  Adaptation models  Transformers  Imitation learning  deep learning in grasping and manipulation  
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
29-Billion Atoms Molecular Dynamics Simulation With Ab Initio Accuracy on 35 Million Cores of New Sunway Supercomputer 期刊论文
IEEE TRANSACTIONS ON COMPUTERS, 2025, 卷号: 74, 期号: 5, 页码: 1634-1648
作者:  Wang, Xun;  Meng, Xiangyu;  Guo, Zhuoqiang;  Li, Mingzhen;  Liu, Lijun;  Li, Mingfan;  Xiao, Qian;  Zhao, Tong;  Sun, Ninghui;  Tan, Guangming;  Jia, Weile
收藏  |  浏览/下载：5/0  |  提交时间：2025/06/25
Atoms  Accuracy  Supercomputers  Optimization  Artificial neural networks  Force  Training  Fitting  Predictive models  Nuclear power generation  High Performance Computing  Molecular Dynamics  DeePMD  Parallel Optimization  New Sunway Supercomputer  
Relative importance sampling for off-policy actor-critic in deep reinforcement learning 期刊论文
SCIENTIFIC REPORTS, 2025, 卷号: 15, 期号: 1, 页码: 17
作者:  Humayoo, Mahammad;  Zheng, Gengzhong;  Dong, Xiaoqing;  Miao, Liming;  Qiu, Shuwei;  Zhou, Zexun;  Wang, Peitao;  Ullah, Zakir;  Junejo, Naveed Ur Rehman;  Cheng, Xueqi
收藏  |  浏览/下载：3/0  |  提交时间：2025/06/25
Actor-critic (AC)  Discrepancy  Variance  Importance sampling (IS)  Off-policy  Relative importance sampling (RIS)  
From organoids to organoids-on-a-chip: Current applications and challenges in biomedical research 期刊论文
CHINESE MEDICAL JOURNAL, 2025, 卷号: 138, 期号: 7, 页码: 792-807
作者:  Liu, Kailun;  Chen, Xiaowei;  Fan, Zhen;  Ren, Fei;  Liu, Jing;  Hu, Baoyang
收藏  |  浏览/下载：1/0  |  提交时间：2025/06/25
Organoids-on-a-chip  Organoids  Organ-on-a-chip  Drug testing  Disease modeling  
LogOW: A semi-supervised log anomaly detection model in open-world setting 期刊论文
JOURNAL OF SYSTEMS AND SOFTWARE, 2025, 卷号: 222, 页码: 13
作者:  Ye, Jingwei;  Liu, Chunbo;  Gu, Zhaojun;  Zhang, Zhikai;  Meng, Xuying;  Zhang, Weiyao;  Zhang, Yujun
收藏  |  浏览/下载：3/0  |  提交时间：2025/06/25
Semi-supervised  Log anomaly detection  Open-world  Uncertainty estimation  Incremental pre-training  Cold-start  
Wearable device-measured physical activity and incident cardiovascular disease in cancer survivors 期刊论文
BRITISH JOURNAL OF SPORTS MEDICINE, 2025, 页码: 9
作者:  Jiang, Chengqing;  Li, Ziang;  Guo, Bo;  Chen, Lin;  Zhu, Liang;  Liang, Yu;  Shen, Yinghan;  Long, Tianxin;  Zhai, Ming;  Shi, Jiayun;  Xu, Haiyan;  Wu, Yongjian
收藏  |  浏览/下载：3/0  |  提交时间：2025/06/25
Exercise  Accelerometer  Public health  
TiltRec: an ultra-fast and open-source toolkit for cryo-electron tomographic reconstruction 期刊论文
BIOINFORMATICS, 2025, 卷号: 41, 期号: 3, 页码: 5
作者:  Jiao, Yanxin;  Li, Hongjia;  Xue, Yang;  Yang, Guoliang;  Qi, Lei;  Zhang, Fa;  Zang, Dawei;  Han, Renmin
收藏  |  浏览/下载：1/0  |  提交时间：2025/06/25
UniFa: A unified feature hallucination framework for any-shot object detection 期刊论文
PATTERN RECOGNITION LETTERS, 2025, 卷号: 189, 页码: 207-213
作者:  Nie, Hui;  Wang, Ruiping;  Chen, Xilin
收藏  |  浏览/下载：2/0  |  提交时间：2025/06/25
Any-shot object detection  Feature hallucination  Visual-aware semantic information