Related papers: ReacProc: A Tool to Process Reactions Describing P…
Chemical reactivity models are developed to predict chemical reaction outcomes in the form of classification (success/failure) or regression (product yield) tasks. The vast majority of the reported models are trained solely on chemical…
We describe a visual programming language for defining behaviors manifested by reified actors in a 2D virtual world that can be compiled into programs comprised of sequences of combinators that are themselves reified as actors. This makes…
Organic reactions are usually assigned to classes containing reactions with similar reagents and mechanisms. Reaction classes facilitate the communication of complex concepts and efficient navigation through chemical reaction space.…
Nuclear reaction rates determine the abundances of isotopes in stellar burning processes. A multitude of reactions determine the reaction flow pattern which is described in terms of reaction network simulations. The reaction rates are…
Nuclear reactions govern major aspects of the chemical evolution of galaxies and stars. Analytic study of the reaction rates and reaction probability integrals is attempted here. Exact expressions for the reaction rates and reaction…
E(A+M)PEC traces the ionization structure, cooling and emission spectra of plasmas. It is written in OpenCL, runs in NVIDIA Graphics Processor Units and can be coupled to any HD or MHD code to follow the dynamical and thermal evolution of…
Process data refer to data recorded in the log files of computer-based items. These data, represented as timestamped action sequences, keep track of respondents' response processes of solving the items. Process data analysis aims at…
REC (Regular Expression Compiler) is a concise programming language which allows students to write programs without knowledge of the complicated syntax of languages like FORTRAN and ALGOL. The language is recursive and contains only four…
We describe a representation in a high-level transition system for policies that express a reactive behavior for the agent. We consider a target decision component that figures out what to do next and an (online) planning capability to…
Theoretical predictions in high energy physics are routinely provided in the form of Monte Carlo generators. Comparisons of predictions from different programs and/or different initialization set-ups are often necessary. MC-TESTER can be…
It is nearly twenty years that there exist computer programs to reduce products of Lie algebra irreps. This is a contribution in the field that uses a modern computer language (``C'') in a highly structured and object-oriented way. This…
Reaction coordinates (RCs) are the few essential coordinates of a protein that control its functional processes, such as allostery, enzymatic reaction, and conformational change. They are critical for understanding protein function and…
Object-oriented programming languages such as Java and Objective C have become popular for implementing agent-based and other object-based simulations since objects in those languages can {\em reflect} (i.e. make runtime queries of an…
Reaction networks are a general formalism for describing collections of classical entities interacting in a random way. While reaction networks are mainly studied by chemists, they are equivalent to Petri nets, which are used for similar…
Scientific computation is a discipline that combines numerical analysis, physical understanding, algorithm development, and structured programming. Several yottacycles per year on the world's largest computers are spent simulating problems…
This paper introduces pyRecLab, a software library written in C++ with Python bindings which allows to quickly train, test and develop recommender systems. Although there are several software libraries for this purpose, only a few let…
We study the reaction front for the process A+B -> C in which the reagents move subdiffusively. Our theoretical description is based on a fractional reaction-subdiffusion equation in which both the motion and the reaction terms are affected…
Concurrent Constraint Programming (CCP) is a declarative model for concurrency where agents interact by telling and asking constraints (pieces of information) in a shared store. Some previous works have developed (approximated) declarative…
The Physics Analysis eXpert (PAX) is an open source toolkit for high energy physics analysis. The C++ class collection provided by PAX is deployed in a number of analyses with complex event topologies at Tevatron and LHC. In this article,…
REC (REGULAR EXPRESSION COMPILER) is a programming language of simple structure developed originally for the PDP-8 computer of the Digital Equipment, Corporation, but readily adaptable to any other general purpose computer. It has been used…