Ladme/gorder

Calculate lipid order parameters from Gromacs simulations

Language: Rust - Size: 333 MB - Last synced at: 7 days ago - Pushed at: 7 days ago - Stars: 2 - Forks: 0

killiansheriff/AtomisticReverseMonteCarlo

OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.

Language: Python - Size: 10.8 MB - Last synced at: 23 days ago - Pushed at: 3 months ago - Stars: 22 - Forks: 3

killiansheriff/WarrenCowleyParameters

OVITO Python modifier to compute the Warren-Cowley parameters.

Language: Python - Size: 1.25 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 28 - Forks: 9

pyscal/pyscal

Python library written in C++ for calculation of local atomic structural environment

Language: C++ - Size: 13.1 MB - Last synced at: 10 days ago - Pushed at: 8 months ago - Stars: 60 - Forks: 16

ipudu/order

:potable_water: A tool to characterize the local structure of liquid water by geometric order parameters.

Language: Python - Size: 19.2 MB - Last synced at: 25 days ago - Pushed at: 9 months ago - Stars: 13 - Forks: 9

SalmanFarizN/pybdynamics

Python package for simulation and data analysis of interacting colloidal particle systems.

Language: Python - Size: 95.7 KB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 0 - Forks: 0

patrickfuchs/buildH

:computer: Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.

Language: Python - Size: 27.5 MB - Last synced at: 10 days ago - Pushed at: over 2 years ago - Stars: 14 - Forks: 7

shoubhikraj/water-order

A fast, OpenMP parallelised C++ package that calculates the radial distribution of various local order parameters for water droplets from MD trajectories.

Language: C++ - Size: 45 MB - Last synced at: over 1 year ago - Pushed at: over 3 years ago - Stars: 1 - Forks: 0

patrickfuchs/autoLipMap

:computer: Automatic lipid mapping topology writer

Language: Python - Size: 354 KB - Last synced at: over 1 year ago - Pushed at: about 3 years ago - Stars: 0 - Forks: 1

markovmodel/PySFD

Language: Python - Size: 119 MB - Last synced at: about 1 month ago - Pushed at: almost 5 years ago - Stars: 5 - Forks: 6