Alternatives and similar repositories for MDBrushAnalysis

Users that are interested in MDBrushAnalysis are comparing it to the libraries listed below

• Chenghao-Wu / SMolSAT
  SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit
  ☆15Updated last year
• joeyelk / MD-Structure-Factor
  Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories
  ☆18Updated 6 years ago
• edwardsmith999 / TTCF4LAMMPS
  ☆12Updated 2 weeks ago
• nbwilding / DFT
  A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e.…
  ☆17Updated 10 months ago
• simongravelle / atb2lammps
  Convert files from the ATB repository to LAMMPS format
  ☆22Updated 4 months ago
• CMMRLab / LUNAR
  ☆50Updated last week
• tommason14 / modified_polymatic
  ☆16Updated 3 years ago
• dmorse / pscfpp
  Polymer Self-Consistent Field Theory (C++/CUDA version)
  ☆39Updated this week
• lammpstutorials / lammpstutorials-article
  A Set of Tutorials for the LAMMPS Simulation Package
  ☆37Updated 3 months ago
• kdfong / transport-coefficients-MSD
  Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.
  ☆29Updated 4 years ago
• Iourarum / GOPY
  ☆30Updated 3 years ago
• cmelab / flowerMD
  Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.
  ☆22Updated last week
• omoultosEthTuDelft / OCTP
  On-the-fly calculation of Transport Properties
  ☆27Updated 2 years ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆53Updated 7 years ago
• dspoel / IR-Spectra
  Code and examples to compute IR spectra from normal mode analysis
  ☆15Updated 3 years ago
• palmergroupUH / Order_Parameters_Library
  A Python/Fortran order parameter analysis library
  ☆13Updated 5 years ago
• tgraphite / reax_tools
  A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.
  ☆71Updated 2 months ago
• velocirobbie / make-graphitics
  ☆45Updated 5 years ago
• tyst3273 / pynamic-structure-factor
  python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…
  ☆21Updated 4 months ago
• nuwan-d / polymer_metal_interface
  Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
  ☆38Updated 4 years ago
• marykcoe / cDFT_Package
  A python package for classical Density Functional Theory (cDFT). This package allows you to find the equilibrium density profile of an in…
  ☆28Updated 3 years ago
• dadaoqiuzhi / RMD_Digging
  RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…
  ☆49Updated 6 months ago
• kevinshen56714 / emc-pypi
  Python interface for Enhanced Monte Carlo (EMC)
  ☆22Updated 2 months ago
• zhenxingwang / lammps-conp
  Constant potential method in LAMMPS
  ☆52Updated 2 years ago
• yiming-xu / LAMMPS_Simulation
  Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling
  ☆31Updated 6 years ago
• SarkisovGitHub / PoreBlazer
  PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…
  ☆54Updated 2 years ago
• simongravelle / gromacs-input-files
  GROMACS input files
  ☆19Updated 2 years ago
• rikigigi / analisi
  Code to analyze molecular dynamics trajectory
  ☆18Updated last year
• dev-zero / cp2k-tools
  DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input
  ☆29Updated 6 years ago
• mholmboe / atom
  Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems
  ☆22Updated last month