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Projects in Awesome Lists by aslozada

A curated list of projects in awesome lists by aslozada .

https://github.com/aslozada/kanon

Program to compute chirality indices and assess molecular symmetry

chemistry chirality hausdorff molecule quaternions symmetry

Last synced: 07 Jan 2025

https://github.com/aslozada/melquiades

Monte Carlo program for simulation of multicomponent systems using arbitrary potential models

lennard-jones-potential monte-carlo physicochemical potential simulation theoretical-chemistry yukawa

Last synced: 07 Jan 2025

https://github.com/aslozada/tc

Display the VMD "dynamic" Field (beta, charge, occupancy, ...)

computational-chemistry simulation vmd

Last synced: 07 Jan 2025

https://github.com/aslozada/coor2graph

COOR2GRAPH - This software converts a molecular dynamics trajectory in GRO format into an adjacency matrix. The adjacency matrix is called by networkx python library.

graphs ising-model-2d lennard-jones-fluid molecular-dynamics monte-carlo-simulation periodic-boundary-conditions

Last synced: 07 Jan 2025

https://github.com/aslozada/simulation

This repository contains a collection of documents related to computational simulation in chemistry, condensed matter physics, and materials science. TODO!

Last synced: 07 Jan 2025

https://github.com/aslozada/kmeans

Last synced: 07 Jan 2025

https://github.com/aslozada/stress_tensor

Patch to calculate the stress tensor matrix in Multiwfn.

Last synced: 07 Jan 2025

https://github.com/aslozada/latex_ppgq

UNOFFICIAL latex template for master's and doctoral thesis in concordance with instruction from PPGQ-UFSCar https://www.ppgq.ufscar.br/regimentos-normas/normas-redacao-dissertacao-e-tese

master-thesis ppgq template theses

Last synced: 07 Jan 2025