Pinned Repositories
HyMD
Massively parallel hybrid particle-field molecular dynamics in Python.
Backward
Mapping from Coarse Grain Models to Atomistic (and Back)
clustering-nps
clusttraj
Python script that receives a molecular dynamics or Monte Carlo trajectory and performs agglomerative clustering to classify similar structures.
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.
plumed2
Development version of plumed 2
nanotube-tools
Tools to manipulate, create and work with nanotube simulations
pdb2lmp
Python 3 script to create a LAMMPS topology from a PDB file.
hmcezar's Repositories
hmcezar/clusttraj
Python script that receives a molecular dynamics or Monte Carlo trajectory and performs agglomerative clustering to classify similar structures.
hmcezar/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.
hmcezar/clustering-nps
hmcezar/HyMD
Massively parallel hybrid particle-field molecular dynamics in Python.
hmcezar/Backward
Mapping from Coarse Grain Models to Atomistic (and Back)
hmcezar/Cassandra
Cassandra is a Monte Carlo package to conduct atomistic simulations.
hmcezar/conkyrc
Sample Conky (system monitor) configuration file with weather, CPU graph, memory graph, network traffic graph and processes
hmcezar/dicewin
hmcezar/elements
Additional content to extend Aurora.
hmcezar/English-CV
My personal CV, built from Chodera's LaTeX template
hmcezar/ff_compute
A tool for the scattering form factors calculation from molecular dynamics trajectories of lipid bilayers.
hmcezar/pfft-python
python binding of pfft
hmcezar/plumed2
Development version of plumed 2
hmcezar/pmesh
Particle Mesh in Python
hmcezar/pyzoltan
Python wrapper for the Zoltan data management library
hmcezar/qml
QML: Quantum Machine Learning
hmcezar/rmsd
Calculate RMSD for two XYZ structures
hmcezar/SimToExp-2.0
A program for comparing simulation density results to experimental X-ray and neutron scattering data
hmcezar/ulauncher-file-search
Quick Search files and directories from Ulauncher