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An account is given of the development of the SHELX system of computer programs from SHELX-76 to the present day. In addition to identifying useful innovations that have come into general use through their implementation...

Functional analysis of large gene lists, derived in most cases from emerging high-throughput genomic, proteomic and bioinformatics scanning approaches, is still a challenging and daunting task. The gene-annotation enrich...

In this paper we are concerned with the practical issues of working with data sets common to finance, statistics, and other related fields. pandas is a new library which aims to facilitate working with these data sets an...

Materias / palabras clave: Range (aeronautics); Software; Set (abstract data type); Tracking (education); Computer science; Physics; Systems engineering; Computational science; Aerospace engineering; Programming language; Engineering; Pedagogy

Abstract Array programming provides a powerful, compact and expressive syntax for accessing, manipulating and operating on data in vectors, matrices and higher-dimensional arrays. NumPy is the primary array programming l...

Abstract We investigate the use of multiple transmitting and/or receiving antennas for single user communications over the additive Gaussian channel with and without fading. We derive formulas for the capacities and erro...

The way that information propagates in neural networks is of great importance. In this paper, we propose Path Aggregation Network (PANet) aiming at boosting information flow in proposal-based instance segmentation framew...

This paper presents a new vision Transformer, called Swin Transformer, that capably serves as a general-purpose backbone for computer vision. Challenges in adapting Transformer from language to vision arise from differen...

We describe the development, current features, and some directions for future development of the Amber package of computer programs. This package evolved from a program that was constructed in the late 1970s to do Assist...

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 ...

Genetic algorithms have been used in science and engineering as adaptive algorithms for solving practical problems and as computational models of natural evolutionary systems. This brief, accessible introduction describe...

Many underlying relationships among data in several areas of science and engineering, e.g., computer vision, molecular chemistry, molecular biology, pattern recognition, and data mining, can be represented in terms of gr...

The Cambridge Structural Database (CSD) contains a complete record of all published organic and metal-organic small-molecule crystal structures. The database has been in operation for over 50 years and continues to be th...

Materias / palabras clave: partial differential equations, monte carlo and quasi-monte carlo simulation, soft computing, computational chemistry and physic, energy conversion and transfer in systems, optimization of civil structures and structural...

Materias / palabras clave: computational engineering, physical modeling, civil engineering, mechanical engineering, materials science, simulation; Technology: Electrical engineering. Electronics. Nuclear engineering: Electronics: Computer engineer...

Materias / palabras clave: mathematics, statistics, data analysis, operational research, actuarial statistics, simulation; Social Sciences: Statistics; Science: Mathematics; Technology: Electrical engineering. Electronics. Nuclear engineering: Ele...

Materias / palabras clave: computational methods, mathematical methods, applied mathematics, computational mathematics, numerical methods; Science: Mathematics; Technology: Technology (General): Industrial engineering. Management engineering: Appl...

Materias / palabras clave: materials modeling and theory, novel materials, computational methods, theoretical simulation; Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of...

Materias / palabras clave: mechanical engineering, computer science applications, computational mechanics; Technology: Electrical engineering. Electronics. Nuclear engineering: Electronics: Computer engineering. Computer hardware; Technology: Engi...

Materias / palabras clave: design, engineering, computer science, artificial intelligence, computational mechanics; Technology: Electrical engineering. Electronics. Nuclear engineering: Electronics: Computer engineering. Computer hardware

Materias / palabras clave: computational mechanics, numerical analysis, engineering simulation, complex models; Technology: Engineering (General). Civil engineering (General): Mechanics of engineering. Applied mechanics; Technology: Engineering (G...

Materias / palabras clave: machine learning, artificial intelligence, computational physics, reinforcement learning, neural networks, applied algorithms; Technology: Electrical engineering. Electronics. Nuclear engineering: Electronics: Computer e...

Materias / palabras clave: advanced engineering, computational science; Technology: Electrical engineering. Electronics. Nuclear engineering: Electronics: Computer engineering. Computer hardware; Technology: Engineering (General). Civil engineerin...

Materias / palabras clave: interdisciplinary applications of mathematics and computation, data mining, applied mathematics, mathematical modelling, numerical analysis; Technology: Technology (General): Industrial engineering. Management engineerin...