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Henrique Musseli Cezar's Projects

backward icon backward

Mapping from Coarse Grain Models to Atomistic (and Back)

cassandra icon cassandra

Cassandra is a Monte Carlo package to conduct atomistic simulations.

clusttraj icon clusttraj

Python script that receives a molecular dynamics or Monte Carlo trajectory and performs agglomerative clustering to classify similar structures.

conkyrc icon conkyrc

Sample Conky (system monitor) configuration file with weather, CPU graph, memory graph, network traffic graph and processes

dicetools icon dicetools

Repository of selected Python 3 scripts used to aid data analysis and input generation of Monte Carlo and Configurational Bias Monte Carlo simulations performed with Dice.

english-cv icon english-cv

My personal CV, built from Chodera's LaTeX template

ff_compute icon ff_compute

A tool for the scattering form factors calculation from molecular dynamics trajectories of lipid bilayers.

hymd icon hymd

Massively parallel hybrid particle-field molecular dynamics in Python.

pyzoltan icon pyzoltan

Python wrapper for the Zoltan data management library

qml icon qml

QML: Quantum Machine Learning

rmsd icon rmsd

Calculate RMSD for two XYZ structures

simtoexp-2.0 icon simtoexp-2.0

A program for comparing simulation density results to experimental X-ray and neutron scattering data

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