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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

PGA was developed using PERL scripts for running in Linux system and integrates various software for read mapping, de novo assembling and scaffolding. PGA works