Alternatives and similar repositories for mdapy

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

• spparks / spparks
  SPPARKS Kinetic and Metropolis Monte Carlo simulator
  ☆77Updated last month
• oekosheri / GB_code
  A grain boundary generation code
  ☆79Updated 2 years ago
• lammpstutorials / lammpstutorials.github.io
  LAMMPS tutorials for both beginners and advanced users
  ☆128Updated 2 months ago
• lammpstutorials / lammpstutorials-inputs
  LAMMPS input from lammpstutorials.github.io
  ☆57Updated 2 months ago
• dwsideriusNIST / LAMMPS_Examples
  Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
  ☆87Updated 4 years ago
• nuwan-d / LAMMPS_tutorials_for_short_courses
  Required LAMMPS and MATLAB files for several molecular dynamics simulations.
  ☆43Updated 4 years ago
• simongravelle / python-for-lammps
  Python scripts for dealing with molecular dynamics script for LAMMPS
  ☆17Updated 3 years ago
• Tingliangstu / Lammps_tools
  Some scripting tools used for lammps input or output
  ☆62Updated 6 months ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆67Updated last year
• vasp-dev / py4vasp
  Python interface for VASP
  ☆88Updated this week
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆65Updated last year
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆43Updated 3 months ago
• FitSNAP / FitSNAP
  Software for generating machine-learning interatomic potentials for LAMMPS
  ☆178Updated last month
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆91Updated last month
• ThFriedrich / lammps_vscode
  VSCODE extension for language support of LAMMPS scripts
  ☆53Updated this week
• wojdyr / gosam
  generator of simple atomistic models
  ☆28Updated 7 years ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆47Updated 10 months ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆91Updated last month
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆53Updated 7 years ago
• bdhuddleston / encodeventor
  Files used in tutorials
  ☆46Updated 5 years ago
• potfit / potfit
  potfit force-matching code
  ☆42Updated last year
• omidshy / analyze-md
  A collection of Python scripts for computing physical properties and analyzing trajectories from molecular dynamics simulations.
  ☆20Updated last month
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆94Updated last week
• libAtoms / matscipy
  Materials science with Python at the atomic-scale
  ☆225Updated 2 weeks ago
• rohskopf / modecode
  Massively parallel vibrational mode calculator.
  ☆23Updated last year
• henriasv / lammps-logfile
  Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.
  ☆64Updated 8 months ago
• lammpstutorials / lammpstutorials-article
  A Set of Tutorials for the LAMMPS Simulation Package
  ☆37Updated 2 months ago
• SPARC-X / SPARC
  Simulation Package for Ab-initio Real-space Calculations
  ☆94Updated this week
• zhenxingwang / lammps-conp
  Constant potential method in LAMMPS
  ☆52Updated 2 years ago
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆63Updated last year