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Molecular simulation is an extremely useful, but computationally very expensive tool for studies of chemical and biomolecular systems. Here, we present a new implementation of our molecular simulation toolkit GROMACS whi...

Wildland fires are a critical natural hazard in many regions of the World. Every year, millions of hectares are burned in Tropical, Boreal and Mediterranean forest, which causes a wide variety of effects, from atmospheri...

UNLABELLED: RAxML-VI-HPC (randomized axelerated maximum likelihood for high performance computing) is a sequential and parallel program for inference of large phylogenies with maximum likelihood (ML). Low-level technical...

NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. NAMD scales to hundreds of processors on high-end parallel platforms, as well as tens of processors on lo...

In the Python world, NumPy arrays are the standard representation for numerical data and enable efficient implementation of numerical computations in a high-level language. As this effort shows, NumPy performance can be ...

The book Using OpenMP: Portable Shared Memory Parallel Programming, presents OpenMP more than appropriately, from the perspective of high performance computing, which traditionally has provided most (if not all) the para...

InfiniBand (IBA) technology was developed to address the performance issues associated with messages movement among Endnodes and computer I/O devices. However, InfiniBand is also widely deployed within high performance c...

"Graph databases are becoming increasingly popular for modeling different kinds of networks for data analysis. They are built over the property graph data model, where nodes and edges are annotated with property-value p...

The increase in the number of large data sets and the complexity of current probabilistic sequence evolution models necessitates fast and reliable phylogeny reconstruction methods. We describe a new approach, based on th...

The discriminative model learning for image denoising has been recently attracting considerable attentions due to its favorable denoising performance. In this paper, we take one step forward by investigating the construc...

Understanding the evolutionary history of living organisms is a central problem in biology. Until recently the ability to infer evolutionary relationships was limited by the amount of DNA sequence data available, but new...

Recommender systems apply knowledge discovery techniques to the problem of making personalized recommendations for information, products or services during a liveinteraction. These systems, especially the k-nearest neigh...

BACKGROUND: PLINK 1 is a widely used open-source C/C++ toolset for genome-wide association studies (GWAS) and research in population genetics. However, the steady accumulation of data from imputation and whole-genome seq...

Materias / palabras clave: high performance computing systems, future generation highly parallel computing systems; Science: Mathematics: Instruments and machines: Electronic computers. Computer science

Materias / palabras clave: reconfigurable computing, hardware architectures, high performance systems; Technology: Electrical engineering. Electronics. Nuclear engineering: Electronics: Computer engineering. Computer hardware

Materias / palabras clave: computer theory and algorithm, artificial intelligence and pattern recognition, computer architecture and high performance computing, computer network, software engineering, database and knowledge-based systems; Science:...

Materias / palabras clave: system analysis, informatics, control systems, high performance computing, decision making, game theory; Science: Mathematics: Instruments and machines: Electronic computers. Computer science

Materias / palabras clave: computer science, information technology, physics, artificial intelligence, high performance computing, information systems; Technology: Technology (General): Industrial engineering. Management engineering: Information t...