Results 1 to 10 of about 10,039,377 (264)
Programming with neural surrogates of programs [PDF]
Proceedings of the 2021 ACM SIGPLAN International Symposium on New Ideas, New Paradigms, and Reflections on Programming and Software, 2021 Surrogates, models that mimic the behavior of programs, form the basis of a variety of development workflows. We study three surrogate-based design patterns, evaluating each in case studies on a large-scale CPU simulator. With surrogate compilation, programmers develop a surrogate that mimics the behavior of a program to deploy to end-users in place of
Alex Renda, Yi Ding 0006, Michael Carbin
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Software update: The ORCA program system—Version 5.0
WIREs Computational Molecular Science, 2022 Version 5.0 of the ORCA quantum chemistry program suite was released in July 2021. ORCA 5.0 represents a major improvement over all previous versions of ORCA and features (1) highly improved performance, (2) increased numerical robustness, (3) a host of ...
F. Neese
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Journal of Applied Crystallography, 2021 CrystalExplorer is a native cross-platform program for the visualization and investigation of molecular crystal structures.
Peter R. Spackman +6 more
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featureCounts: an efficient general purpose program for assigning sequence reads to genomic features [PDF]
Bioinform., 2013 MOTIVATION Next-generation sequencing technologies generate millions of short sequence reads, which are usually aligned to a reference genome. In many applications, the key information required for downstream analysis is the number of reads mapping to ...
Yang Liao, G. Smyth, Wei Shi
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Program Synthesis for Program Analysis [PDF]
ACM Transactions on Programming Languages and Systems, 2018 In this article, we propose a unified framework for designing static analysers based on program synthesis . For this purpose, we identify a fragment of second-order logic with restricted quantification that is expressive enough to model numerous static analysis problems (e.g., safety proving,
Cristina David +3 more
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The ORCA quantum chemistry program package.
Journal of Chemical Physics, 2020 In this contribution to the special software-centered issue, the ORCA program package is described. We start with a short historical perspective of how the project began and go on to discuss its current feature set.
F. Neese +3 more
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Description of a Program for Nonlinear Programming: the Centroid Program [PDF]
The Computer Journal, 1985 Considered is a problem of non-linear programming in the form \(g_ e(x)\leq 0\), \(e=1,2,...,M\), f(x)\(\to \min\), where g and f are non-linear functions of the independent variable \(x=\{x_ 1,x_ 2,...,x_ t,...,x_ n\}\). We then define the penalty function \(F=\sum_{e}g^+_ e\), where \(g_ e>0\to g^+_ e=g_ e\), \(g_ e\leq 0\to g^+_ e=0\), and by an ...
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Software survey: VOSviewer, a computer program for bibliometric mapping
Scientometrics, 2009 We present VOSviewer, a freely available computer program that we have developed for constructing and viewing bibliometric maps. Unlike most computer programs that are used for bibliometric mapping, VOSviewer pays special attention to the graphical ...
Nees Jan van Eck, L. Waltman
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Program Transformation for Program Verification
EPiC Series in Computing, 2018 We present a transformational approach to program verification and software model checking that uses three main ingredients:(i) Constraint Logic Programming (CLP),(ii) metaprogramming and program specialization, and(iii) proof by transformation.
PETTOROSSI, ALBERTO, Proietti, M.
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Software Update: The ORCA Program System—Version 6.0
WIREs Computational Molecular ScienceVersion 6.0 of the ORCA quantum chemistry program suite was released in July 2024. ORCA 6.0 is a major turning point in the history of the program since it represents a near complete rewrite of the code base that leads to: (1) major performance ...
Frank Neese
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