28 skills found
dmorse / SimpaticoMolecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids
degiacom / Assemblea tool for creating Molecular Dynamics-ready models of polymeric systems
dssimmons-codes / AMDATC++ toolkit for post-processing molecular dynamics trajectories, with a focus on high-performance static and dynamic analyses of amorphous/glassy/polymer materials.
amir-saadat / BDpackA GPU-enabled Brownian dynamics package for simulation of polymeric solutions
matta-research-group / SwiftPolTools for polymer molecular dynamics simulations
anyuzx / HIPPS DIMES4D Genome Reconstruction and Dynamics Prediction: Maximum Entropy Based HI-C/Distance Map - Polymer Physics - Structures Method
ks838 / Ring Polymer Molecular Dynamics In Python And CppIn this project, we give python and C++ codes for the Ring Polymer Molecular Dynamics (RMPD) to calculate the time correlation function(TCF) of coordinate <q(0)q(t)>. Two kinds of thermostat have been tested.
freitas-rodrigo / RPMDforLAMMPSRing-Polymer Molecular Dynamics extension package for LAMMPS
soyashinkai / PHi CPHi-C: deciphering Hi-C data into polymer dynamics
GreenGroup / RPMDrateCompute dynamic properties of chemical systems using ring polymer molecular dynamics simulations
madgal / VoronoiAnalysisPython code that can be used to analyze molecular dynamics simulations of proteins/polymers solvated in water. The first and second hydration shells are calculated, the molecular volume, the partial molar volume, and the number of waters associated with each side chain are calculated. This is specifically for PNIPAM but can be modified fairly easily to suit other polymers/protiens. The MDAnalysis library is used for parsing trajectories. Voronio polygons are created using the pyvoro wrapper of Voro++.
bazilevs31 / Polymer SimulationAnalysis programms for Molecular Dynamics simulations of polymer melts
rotskoff-group / PolycompPolymer field theories with Complex Langevin Dynamics in Python
hall-polymers / PppmdPost-Processing Polymer Molecular Dynamics Simulations
ericbruckner / PolysimA library to run simple dissipative particle dynamics (DPD) simulations of linear polymers using HOOMD-blue
ritesh001 / Polymer Molecular DynamicsPerform high-throughput polymer MD simulations for various polymer properties with ease
palmergroup / Mpcd Polymer ColloidAdaptation of LAMMPS' stochastic rotation dynamics module to perform multi-particle collision dynamics simulations of polymer and colloid solutions using an Andersen thermostat
jwallen / RPMDrateCompute dynamic properties of chemical systems using ring polymer molecular dynamics simulations
olajuwonOG / Structure And Dynamics PaperLammps and python script for structure and dynamics of dispersed polymer melts
OpenTrajectoryAnalysis / RouseAn implementation of the Rouse model of polymer dynamics
