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CCF Transactions on High Performance Computing最新文献

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A survey on superconducting computing technology: circuits, architectures and design tools 超导计算技术综述:电路、体系结构和设计工具
IF 0.9 Q4 COMPUTER SCIENCE, HARDWARE & ARCHITECTURE
CCF Transactions on High Performance Computing
Pub Date : 2022-03-01 DOI: 10.1007/s42514-022-00089-w
Junying Huang, Rongliang Fu, Xiaochun Ye, Dongrui Fan
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引用次数: 3
A review of basic software for brain-inspired computing 脑启发计算基础软件综述
IF 0.9 Q4 COMPUTER SCIENCE, HARDWARE & ARCHITECTURE
CCF Transactions on High Performance Computing
Pub Date : 2022-03-01 DOI: 10.1007/s42514-022-00092-1
Peng Qu, Le Yang, Weimin Zheng, Youhui Zhang
{"title":"A review of basic software for brain-inspired computing","authors":"Peng Qu, Le Yang, Weimin Zheng, Youhui Zhang","doi":"10.1007/s42514-022-00092-1","DOIUrl":"https://doi.org/10.1007/s42514-022-00092-1","url":null,"abstract":"","PeriodicalId":29895,"journal":{"name":"CCF Transactions on High Performance Computing","volume":"4 1","pages":"34 - 42"},"PeriodicalIF":0.9,"publicationDate":"2022-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44027268","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
A brief introduction to quantum algorithms 量子算法的简单介绍
IF 0.9 Q4 COMPUTER SCIENCE, HARDWARE & ARCHITECTURE
CCF Transactions on High Performance Computing
Pub Date : 2022-02-17 DOI: 10.1007/s42514-022-00090-3
S. Zhang, Lvzhou Li
{"title":"A brief introduction to quantum algorithms","authors":"S. Zhang, Lvzhou Li","doi":"10.1007/s42514-022-00090-3","DOIUrl":"https://doi.org/10.1007/s42514-022-00090-3","url":null,"abstract":"","PeriodicalId":29895,"journal":{"name":"CCF Transactions on High Performance Computing","volume":"4 1","pages":"53 - 62"},"PeriodicalIF":0.9,"publicationDate":"2022-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52712693","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 10
Biomedical application community based on China high-performance computing environment 基于中国高性能计算环境的生物医学应用社区
IF 0.9 Q4 COMPUTER SCIENCE, HARDWARE & ARCHITECTURE
CCF Transactions on High Performance Computing
Pub Date : 2022-02-10 DOI: 10.1007/s42514-022-00088-x
Lianhua He, Qian Liu, Baohua Zhang, Jingfa Xiao, Zhong Jin
{"title":"Biomedical application community based on China high-performance computing environment","authors":"Lianhua He, Qian Liu, Baohua Zhang, Jingfa Xiao, Zhong Jin","doi":"10.1007/s42514-022-00088-x","DOIUrl":"https://doi.org/10.1007/s42514-022-00088-x","url":null,"abstract":"","PeriodicalId":29895,"journal":{"name":"CCF Transactions on High Performance Computing","volume":"4 1","pages":"75 - 85"},"PeriodicalIF":0.9,"publicationDate":"2022-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52712648","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Improvement of AI forecast of gridded PM2.5 forecast in China through ConvLSTM and Attention 基于ConvLSTM的中国网格化PM2.5人工智能预报改进及注意事项
IF 0.9 Q4 COMPUTER SCIENCE, HARDWARE & ARCHITECTURE
CCF Transactions on High Performance Computing
Pub Date : 2022-02-03 DOI: 10.1007/s42514-021-00087-4
Pei Y. Liu, Erlin Yao, T. Liu, Lei Kong, Xiaofeng Tang, Guang-Ming Tan
{"title":"Improvement of AI forecast of gridded PM2.5 forecast in China through ConvLSTM and Attention","authors":"Pei Y. Liu, Erlin Yao, T. Liu, Lei Kong, Xiaofeng Tang, Guang-Ming Tan","doi":"10.1007/s42514-021-00087-4","DOIUrl":"https://doi.org/10.1007/s42514-021-00087-4","url":null,"abstract":"","PeriodicalId":29895,"journal":{"name":"CCF Transactions on High Performance Computing","volume":"4 1","pages":"104 - 119"},"PeriodicalIF":0.9,"publicationDate":"2022-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44818067","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Molecular docking-based computational platform for high-throughput virtual screening. 基于分子对接的高通量虚拟筛选计算平台。
IF 0.9 Q4 COMPUTER SCIENCE, HARDWARE & ARCHITECTURE
CCF Transactions on High Performance Computing
Pub Date : 2022-01-01 Epub Date: 2022-01-13 DOI: 10.1007/s42514-021-00086-5
Baohua Zhang, Hui Li, Kunqian Yu, Zhong Jin

Structure-based virtual screening is a key, routine computational method in computer-aided drug design. Such screening can be used to identify potentially highly active compounds, to speed up the progress of novel drug design. Molecular docking-based virtual screening can help find active compounds from large ligand databases by identifying the binding affinities between receptors and ligands. In this study, we analyzed the challenges of virtual screening, with the aim of identifying highly active compounds faster and more easily than is generally possible. We discuss the accuracy and speed of molecular docking software and the strategy of high-throughput molecular docking calculation, and we focus on current challenges and our solutions to these challenges of ultra-large-scale virtual screening. The development of Web services helps lower the barrier to drug virtual screening. We introduced some related web sites for docking and virtual screening, focusing on the development of pre- and post-processing interactive visualization and large-scale computing.

基于结构的虚拟筛选是计算机辅助药物设计的一种关键、常规的计算方法。这种筛选可以用来识别潜在的高活性化合物，以加快新药设计的进展。基于分子对接的虚拟筛选可以通过识别受体与配体之间的结合亲和力，帮助从大型配体数据库中发现活性化合物。在这项研究中，我们分析了虚拟筛选的挑战，目的是比通常可能更快、更容易地识别高活性化合物。我们讨论了分子对接软件的准确性和速度以及高通量分子对接计算策略，并重点讨论了超大规模虚拟筛选目前面临的挑战和解决这些挑战的方法。Web服务的发展有助于降低药物虚拟筛选的障碍。介绍了一些相关的对接和虚拟筛选网站，重点介绍了前、后处理交互式可视化和大规模计算的发展。
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引用次数: 16
EHSTM: a formal model of embedded software and research on several key issues 嵌入式软件的形式化模型EHSTM及其若干关键问题的研究
IF 0.9 Q4 COMPUTER SCIENCE, HARDWARE & ARCHITECTURE
CCF Transactions on High Performance Computing
Pub Date : 2021-11-24 DOI: 10.1007/s42514-021-00082-9
Watanabe Masahiko, Kuanjiu Zhou, Yicong Li, Z. Wang, Junyu Li
{"title":"EHSTM: a formal model of embedded software and research on several key issues","authors":"Watanabe Masahiko, Kuanjiu Zhou, Yicong Li, Z. Wang, Junyu Li","doi":"10.1007/s42514-021-00082-9","DOIUrl":"https://doi.org/10.1007/s42514-021-00082-9","url":null,"abstract":"","PeriodicalId":29895,"journal":{"name":"CCF Transactions on High Performance Computing","volume":"3 1","pages":"365 - 382"},"PeriodicalIF":0.9,"publicationDate":"2021-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42926638","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
SAR study on inhibitors of Hsp90α using machine learning methods 利用机器学习方法对Hsp90α抑制剂进行SAR研究
IF 0.9 Q4 COMPUTER SCIENCE, HARDWARE & ARCHITECTURE
CCF Transactions on High Performance Computing
Pub Date : 2021-11-13 DOI: 10.1007/s42514-021-00084-7
Z. Zhang, Yujia Tian, A. Yan
{"title":"SAR study on inhibitors of Hsp90α using machine learning methods","authors":"Z. Zhang, Yujia Tian, A. Yan","doi":"10.1007/s42514-021-00084-7","DOIUrl":"https://doi.org/10.1007/s42514-021-00084-7","url":null,"abstract":"","PeriodicalId":29895,"journal":{"name":"CCF Transactions on High Performance Computing","volume":"3 1","pages":"353 - 364"},"PeriodicalIF":0.9,"publicationDate":"2021-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45423722","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
GCGE: a package for solving large scale eigenvalue problems by parallel block damping inverse power method GCGE:一个用平行块阻尼逆幂法求解大规模特征值问题的软件包
IF 0.9 Q4 COMPUTER SCIENCE, HARDWARE & ARCHITECTURE
CCF Transactions on High Performance Computing
Pub Date : 2021-11-12 DOI: 10.1007/s42514-023-00135-1
Yu Li, Zijing Wang, Hehu Xie
{"title":"GCGE: a package for solving large scale eigenvalue problems by parallel block damping inverse power method","authors":"Yu Li, Zijing Wang, Hehu Xie","doi":"10.1007/s42514-023-00135-1","DOIUrl":"https://doi.org/10.1007/s42514-023-00135-1","url":null,"abstract":"","PeriodicalId":29895,"journal":{"name":"CCF Transactions on High Performance Computing","volume":"1 1","pages":"1-20"},"PeriodicalIF":0.9,"publicationDate":"2021-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43746685","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Energy-aware task scheduling optimization with deep reinforcement learning for large-scale heterogeneous systems 基于深度强化学习的大规模异构系统能量感知任务调度优化
IF 0.9 Q4 COMPUTER SCIENCE, HARDWARE & ARCHITECTURE
CCF Transactions on High Performance Computing
Pub Date : 2021-10-20 DOI: 10.1007/s42514-021-00083-8
Jingbo Li, Xingjun Zhang, Zheng Wei, Jia Wei, Zeyu Ji
{"title":"Energy-aware task scheduling optimization with deep reinforcement learning for large-scale heterogeneous systems","authors":"Jingbo Li, Xingjun Zhang, Zheng Wei, Jia Wei, Zeyu Ji","doi":"10.1007/s42514-021-00083-8","DOIUrl":"https://doi.org/10.1007/s42514-021-00083-8","url":null,"abstract":"","PeriodicalId":29895,"journal":{"name":"CCF Transactions on High Performance Computing","volume":"3 1","pages":"383 - 392"},"PeriodicalIF":0.9,"publicationDate":"2021-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48943868","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 7
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