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
  ☆75Updated 7 months ago
• lammpstutorials / lammpstutorials.github.io
  LAMMPS tutorials for both beginners and advanced users
  ☆118Updated 3 weeks ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆69Updated last year
• dwsideriusNIST / LAMMPS_Examples
  Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
  ☆85Updated 3 years ago
• FitSNAP / FitSNAP
  Software for generating machine-learning interatomic potentials for LAMMPS
  ☆171Updated this week
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆57Updated 9 months ago
• Tingliangstu / Lammps_tools
  Some scripting tools used for lammps input or output
  ☆59Updated 2 months ago
• lammpstutorials / lammpstutorials-inputs
  LAMMPS input from lammpstutorials.github.io
  ☆47Updated 3 months ago
• vasp-dev / py4vasp
  Python interface for VASP
  ☆85Updated this week
• 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.
  ☆63Updated 4 months ago
• nuwan-d / LAMMPS_tutorials_for_short_courses
  Required LAMMPS and MATLAB files for several molecular dynamics simulations.
  ☆42Updated 3 years ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆52Updated 7 years ago
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆42Updated 7 months ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆64Updated last year
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆87Updated last month
• libAtoms / matscipy
  Materials science with Python at the atomic-scale
  ☆213Updated last month
• rohskopf / modecode
  Massively parallel vibrational mode calculator.
  ☆23Updated 11 months ago
• pierrehirel / atomsk
  Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
  ☆225Updated 2 weeks ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆86Updated this week
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆46Updated 6 months ago
• USCCACS / ThermalTools
  LAMMPS plugins for thermal conductivity and density of states calculation
  ☆48Updated 6 years ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆87Updated 11 months ago
• lammpstutorials / lammpstutorials-article
  LAMMPS tutorials for both beginners and advanced users: the article
  ☆25Updated 2 weeks ago
• by-student-2017 / lammps_education_reaxff_win
  ☆39Updated 5 months ago
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆90Updated last month
• potfit / potfit
  potfit force-matching code
  ☆40Updated last year
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆96Updated 3 years ago
• MaginnGroup / PyLAT
  ☆109Updated 2 years ago
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆53Updated this week
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆130Updated 9 months ago