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clusttraj Public
Python script that receives a molecular dynamics or Monte Carlo trajectory and performs agglomerative clustering to classify similar structures.
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English-CV Public
Forked from jchodera/latex-cvMy personal CV, built from Chodera's LaTeX template
TeX UpdatedMar 25, 2025 -
plumed2 Public
Forked from plumed/plumed2Development version of plumed 2
C++ GNU Lesser General Public License v3.0 UpdatedOct 16, 2024 -
HyMD Public
Forked from Cascella-Group-UiO/HyMDMassively parallel hybrid particle-field molecular dynamics in Python.
Python GNU Lesser General Public License v3.0 UpdatedSep 6, 2024 -
dicetools Public
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.
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Backward Public
Forked from Tsjerk/BackwardMapping from Coarse Grain Models to Atomistic (and Back)
Python GNU General Public License v2.0 UpdatedSep 27, 2023 -
qml Public
Forked from qmlcode/qmlQML: Quantum Machine Learning
Python MIT License UpdatedAug 18, 2023 -
SimToExp-2.0 Public
Forked from YevChern/SimToExp-2.0A program for comparing simulation density results to experimental X-ray and neutron scattering data
C++ UpdatedJul 3, 2023 -
ff_compute Public
Forked from YevChern/ff_computeA tool for the scattering form factors calculation from molecular dynamics trajectories of lipid bilayers.
C++ UpdatedJun 29, 2023 -
pmesh Public
Forked from MP-Gadget/pmeshParticle Mesh in Python
C GNU General Public License v3.0 UpdatedJul 25, 2022 -
pyzoltan Public
Forked from pypr/pyzoltanPython wrapper for the Zoltan data management library
Cython Other UpdatedMar 16, 2022 -
Cassandra Public
Forked from MaginnGroup/CassandraCassandra is a Monte Carlo package to conduct atomistic simulations.
Fortran GNU General Public License v3.0 UpdatedApr 14, 2021 -
elements Public
Forked from aurorabuilder/elementsAdditional content to extend Aurora.
UpdatedOct 16, 2020 -
rmsd Public
Forked from charnley/rmsdCalculate RMSD for two XYZ structures
Python BSD 2-Clause "Simplified" License UpdatedOct 25, 2019 -
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pfft-python Public
Forked from MP-Gadget/pfft-pythonpython binding of pfft
Python GNU General Public License v3.0 UpdatedSep 1, 2019 -
ulauncher-file-search Public
Forked from brpaz/ulauncher-file-searchQuick Search files and directories from Ulauncher
Python UpdatedAug 5, 2019 -
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conkyrc Public
Forked from mrmierzejewski/conkyrcSample Conky (system monitor) configuration file with weather, CPU graph, memory graph, network traffic graph and processes
UpdatedJul 2, 2015
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