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The network of biochemical reactions inside living organisms is characterized by an overwhelming complexity which stems from the sheer number of reactions and from the complicated topology of biochemical cycles. However the high speed of…

Biological Physics · Physics 2009-10-30 Edoardo Milotti , Alessio Del Fabbro , Roberto Chignola

We present Groebner.jl, a Julia package for computing Groebner bases with the F4 algorithm. Groebner.jl is an efficient, portable, and open-source software. Groebner.jl works over integers modulo a prime and over the rationals, supports…

Mathematical Software · Computer Science 2024-02-13 Alexander Demin , Shashi Gowda

Approximating partial differential equations for extensive industrial and scientific applications requires leveraging the power of modern high-performance computing. In large-scale parallel computations, the geometrical discretisation…

Numerical Analysis · Mathematics 2024-12-30 Pere A. Martorell , Santiago Badia

Bioelectrochemistry is crucial for understanding biological functions and driving applications in synthetic biology, healthcare, and catalysis. However, current simulation methods fail to capture both the stochastic nature of molecular…

Chemellia is an open-source framework for atomistic machine learning in the Julia programming language. The framework takes advantage of Julia's high speed as well as the ability to share and reuse code and interfaces through the paradigm…

Computational Engineering, Finance, and Science · Computer Science 2023-05-23 Anant Thazhemadam , Dhairya Gandhi , Venkatasubramanian Viswanathan , Rachel C. Kurchin

DiffEqFlux.jl is a library for fusing neural networks and differential equations. In this work we describe differential equations from the viewpoint of data science and discuss the complementary nature between machine learning models and…

Machine Learning · Computer Science 2019-02-08 Chris Rackauckas , Mike Innes , Yingbo Ma , Jesse Bettencourt , Lyndon White , Vaibhav Dixit

Motivation: This paper presents libRoadRunner 2.0, an extensible, high-performance, cross-platform, open-source software library for the simulation and analysis of models expressed using Systems Biology Markup Language SBML). Results:…

Quantitative Methods · Quantitative Biology 2022-03-03 Ciaran Welsh , Jin Xu , Lucian Smith , Matthias König , Kiri Choi , Herbert M. Sauro

An early-stage version of simulation package is developed for electronic structure calculation and dynamics of atom process in large-scale systems, particularly, nm-scale or 10nm-scale systems. We adopted the Extensible Markup Language…

Materials Science · Physics 2007-11-02 Hitoshi Nitta , Naoki Watanabe , Takeo Hoshi , Takeo Fujiwara

We introduce $\texttt{RandomMeas$.$jl}$, a modular and high-performance open-source software package written in Julia for implementing and analyzing randomized measurement protocols in quantum computing. Randomized measurements provide a…

Quantum Physics · Physics 2026-04-29 Andreas Elben , Benoît Vermersch

LongMemory.jl is a package for time series long memory modelling in Julia. The package provides functions to generate long memory, estimate model parameters, and forecast. Generating methods include fractional differencing, stochastic error…

Mathematical Software · Computer Science 2024-01-26 J. Eduardo Vera-Valdés

Since the first observations of interstellar molecules, astrochemical simulations have been employed to model and understand its formation and destruction path- ways. With the advent of high-resolution telescopes such as JWST and ALMA, the…

Spatial heterogeneity can have dramatic effects on the biochemical networks that drive cell regulation and decision-making. For this reason, a number of methods have been developed to model spatial heterogeneity and incorporated into widely…

Subcellular Processes · Quantitative Biology 2018-10-30 Jose-Juan Tapia , Ali Sinan Saglam , Jacob Czech , Robert Kuczewski , Thomas M. Bartol , Terrence J. Sejnowski , James R. Faeder

This paper presents a method for modeling biological systems which combines formal techniques on intervals, numerical simulations and satisfaction of Signal Temporal Logic (STL) formulas. The main modeling challenge addressed by this…

Computational Engineering, Finance, and Science · Computer Science 2013-09-05 Nicolas Mobilia , Alexandre Donzé , Jean Marc Moulis , Éric Fanchon

Motivation: An essential step in developing computational tools for the inference, optimization, and simulation of biochemical reaction networks is gauging tool performance against earlier efforts using an appropriate set of benchmarks.…

Molecular Networks · Quantitative Biology 2022-09-14 Michael A. Kochen , H. Steven Wiley , Song Feng , Herbert M. Sauro

The julia package integrates the Julia programming language into Stata. Users can transfer data between Stata and Julia, issue Julia commands to analyze and plot, and pass results back to Stata. Julia's econometric ecosystem is not as…

Econometrics · Economics 2025-05-05 David Roodman

To develop and investigate detailed mathematical models of cellular metabolic processes is one of the primary challenges in systems biology. However, despite considerable advance in the topological analysis of metabolic networks, explicit…

Molecular Networks · Quantitative Biology 2007-05-23 Ralf Steuer , Thilo Gross , Joachim Selbig , Bernd Blasius

We introduce Dionysos.jl, a modular package for solving optimal control problems for complex dynamical systems using state-of-the-art and experimental techniques from symbolic control, optimization, and learning. More often than not with…

Systems and Control · Electrical Eng. & Systems 2025-02-14 Julien Calbert , Adrien Banse , Benoît Legat , Raphaël M. Jungers

There are plenty of excellent plotting libraries. Each excels at a different use case: one is good for printed 2D publication figures, the other at interactive 3D graphics, a third has excellent L A TEX integration or is good for creating…

The consideration of stochastic uncertainty in optimal and predictive control is a well-explored topic. Recently Polynomial Chaos Expansions (PCE) have received considerable attention for problems involving stochastically uncertain system…

Systems and Control · Electrical Eng. & Systems 2026-04-28 Ruchuan Ou , Learta Januzi , Jonas Schießl , Michael Heinrich Baumann , Lars Grüne , Timm Faulwasser

We have developed a coarse-grained formulation for modeling the dynamic behavior of cells quantitatively, based on stochasticity and heterogeneity, rather than on biochemical reactions. We treat each reaction as a continuous-time stochastic…

Molecular Networks · Quantitative Biology 2015-05-28 Shunsuke Teraguchi , Yutaro Kumagai , Alexis Vandenbon , Shizuo Akira , Daron M Standley
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