A collection of examples and explanations about Julia

Flexible implementation of cell lists to map the calculations of particle-pair dependent functions, such as forces, energies, neighbor lists, etc.

Easy interface for obtaining fits for 2D data

The future of Packmol

Spectral Projected Gradient Method for Box-Constrained Minimization

Package to perform minimum-distance distribution analyses of complex solute-solvent interactions

Simple structure and functions to read and write PDB files

Material para el curso Fundamentos de Mecánica Estadística y Simulaciones: Simulación Computacional Avanzada en Química, Bioquímica y Ciencias de Materiales. CELFI/Universidad de Buenos Aires

A set of tools for analyzing molecular dynamics simulations

Computes the set of minimum distances between to sets of particles, which can be grouped (like in molecules).

Computes the interaction potential between a solute and the solvent molecules having at least one atom within a cutoff distance from the solute.

Julia wrapper for the MDLovoFit package