编译文件,测试是否成功 ./megadock-gpu -h 添加环境变量
MEGADOCK, a protein-protein docking tool, is particularly well-suited for Google Colaboratory due to its lightweight computations and GPU acceleration capabilities. To increase accessibility and promote widespread use, it is crucial to provide a computing environment compatible with Google Colaboratory....
MegaDock高通量对接虚拟筛选软件系统是由深圳智药信息科技有限公司著作的软件著作,该软件著作登记号为:2023SR1092873,属于分类,想要查询更多关于MegaDock高通量对接虚拟筛选软件系统著作的著作权信息就到天眼查官网!
MEGADOCK is an ultra-high-performance protein-protein prediction software for heterogeneous supercomputers using FFT-grid-based docking with MPI/OpenMP/GPU parallelization.Target EnvironmentsTypeTarget Env.Approach (a) GPU cluster GPU + OpenMP + MPI (b) CPU cluster OpenMP + MPI (c) GPU node GPU ...
MEGADOCK: an all-to-all protein-protein interaction prediction system using tertiary structure data and its application to systems biology study M Ohue,Y Matsuzaki,Y Matsuzaki,... - 《研究報告数理モデル化と問題解決(mps)》 被引量: 4发表: 2010年 MEGADOCK-GPU: Acceleration of Protein-Protein ...
We have implemented a protein docking system “MEGADOCK” suitable for running on supercomputers by using hybrid parallelization (MPI, Messeage Passing Interface/OpenMP, Open Multi-Processing), where a number of docking processes are distributed among the nodes by MPI with each docking process also ...
(2014) MEGADOCK: An all-to-all protein-protein inter- action prediction system using tertiary structure data. Protein Pept. Lett., 21, 766-778.Ohue M, Matsuzaki Y, Uchikoga N, Ishida T, Akiyama Y: MEGADOCK: an all- to-all protein-protein interaction prediction system using tertiary ...
MEGADOCK 4.0: an ultra-high-performance protein-protein docking software for heterogeneous supercomputers. Bioinformatics. 2014;30:3281-3.Ohue M, Shimoda T, Suzuki S, Matsuzaki Y, Ishida T, Akiyama Y. MEGADOCK 4.0: an ultra-high-performance protein-protein docking software for heterogeneous ...
MEGADOCK 4.0 is written in C++ with OpenMPI and NVIDIA CUDA 5.0 (or later) and is freely available to all academic and non-profit users at: http://www.bi.cs.titech.ac.jp/megadock.Contact: akiyama@cs.titech.ac.jpSupplementary information: Supplementary data are available at Bioinformatics on...
MEGADOCK 4.0: an ultra-high-performance protein-protein docking software for heterogeneous supercomputers. Bioinformatics. 2014;30:3281-3.Ohue M, Shimoda T, Suzuki S, Matsuzaki Y, Ishida T, Akiyama Y: MEGADOCK 4.0: an ultra-high-performance protein-protein docking software for heterogeneous ...