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Materias / palabras clave: high-performance computing, supercomputing, parallel computing, exascale computing, big data analytics, high-performance storage; Science: Mathematics: Instruments and machines: Electronic computers. Computer science: Co...

Materias / palabras clave: Workflow; Cloud computing; Transparency (behavior); Computer science; Big data; Productivity; Data science; Deep learning; Artificial intelligence; Process (computing); Precision medicine; Risk analysis (engineering)

GROMACS is one of the most widely used open-source and free software codes in chemistry, used primarily for dynamical simulations of biomolecules. It provides a rich set of calculation types, preparation and analysis too...

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...

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 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