Category : Software

https://juliafolds2.github.io/ChunkSplitters.jl/stable/#ChunkSplitters.jl ChunkSplitters.jl makes it easy to split the elements or indices of a collection into chunks: This can be useful in many areas, one of which

This repository contains a set of source codes and input scripts that allows to perform nonequilibrium f MassCCS is an efficient parallel software for calculating

This repository contains a set of source codes and input scripts that allows to perform nonequilibrium free-energy calculations of phase-boundaries of atomistic systems using LAMMPS

TMFree is a compiler mechanism implemented in LLVM that allows programmers to precisely identify and eliminate unnecessary barriers in their Transactional Memory code. TMFree provides

N-body simulations and trajectory analysis rely on the calculation of attributes that depend on KernelFaRer is a pattern-matching framework that extends LLVM’s PatternMatch to capture

L. Martínez, CellListMap.jl: Efficient and customizable cell list implementation for calculation of pairwise particle properties within a cutoff. Computer Physics Communications, 279, 108452, 2022. https://doi.org/10.1016/j.cpc.2022.108452

Scripts that allows to perform nonequilibrium free-energy calculations of fluid-phase systems using LAMMPS code. Details about the code implementation, capabilities and obtained results with these

ComplexMixtures is a Julia package to study the solute and solvent interactions of mixtures of molecules of complex shape. Conventional radial distribution functions are not

BioNetComp compares two biologial networks from a list of genes/proteins. It provides both an easy-to-use object-oriented Python API and a command-line interface (CLI) for network

OmpCloud is a toolset that allows you to use the cloud as an OpenMP offloading device. While offloading has been widely used to move computations

A Web-Based Platform for the Annotation, Analysis and Visualization of Protein-Metabolite-Gene-Drug Interactions by Integrating a Variety of Data Sources and Tools The Integrated Interactome System