Henrique Musseli Cezar's Projects
Mapping from Coarse Grain Models to Atomistic (and Back)
Cassandra is a Monte Carlo package to conduct atomistic simulations.
Python script that receives a molecular dynamics or Monte Carlo trajectory and performs agglomerative clustering to classify similar structures.
Sample Conky (system monitor) configuration file with weather, CPU graph, memory graph, network traffic graph and processes
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.
Additional content to extend Aurora.
My personal CV, built from Chodera's LaTeX template
A tool for the scattering form factors calculation from molecular dynamics trajectories of lipid bilayers.
Massively parallel hybrid particle-field molecular dynamics in Python.
python binding of pfft
Development version of plumed 2
Particle Mesh in Python
Python wrapper for the Zoltan data management library
QML: Quantum Machine Learning
Calculate RMSD for two XYZ structures
A program for comparing simulation density results to experimental X-ray and neutron scattering data
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