{"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}
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}
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}
{"title":"Molecular docking-based computational platform for high-throughput virtual screening.","authors":"Baohua Zhang, Hui Li, Kunqian Yu, Zhong Jin","doi":"10.1007/s42514-021-00086-5","DOIUrl":"https://doi.org/10.1007/s42514-021-00086-5","url":null,"abstract":"<p><p>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.</p>","PeriodicalId":29895,"journal":{"name":"CCF Transactions on High Performance Computing","volume":"4 1","pages":"63-74"},"PeriodicalIF":0.9,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8754542/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"39918383","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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}
{"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}
{"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}