Alternatives and similar repositories for mcmd

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

• lammps / pizza
  Pizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for th…
  ☆67Updated 4 years ago
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆88Updated 3 months ago
• space-group-research / mpmc
  A Monte Carlo molecular simulation software especially suited for materials simulations with polarizable models
  ☆50Updated 10 months ago
• dwsideriusNIST / LAMMPS_Examples
  Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
  ☆87Updated 3 years ago
• PhasesResearchLab / ESPEI
  Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59
  ☆74Updated last week
• nuwan-d / polymer_metal_interface
  Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
  ☆38Updated 3 years ago
• spparks / spparks
  SPPARKS Kinetic and Metropolis Monte Carlo simulator
  ☆75Updated 8 months ago
• prisms-center / CASMcode
  First-principles statistical mechanical software for the study of multi-component crystalline solids
  ☆115Updated last year
• GOMC-WSU / GOMC
  GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
  ☆84Updated this week
• nuwan-d / LAMMPS_tutorials_for_short_courses
  Required LAMMPS and MATLAB files for several molecular dynamics simulations.
  ☆42Updated 3 years ago
• leetmaa / KMCLib
  A kinetic Monte Carlo Python/C++ library.
  ☆131Updated last year
• votca / xtp
  GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…
  ☆29Updated 3 years ago
• lammpstutorials / lammpstutorials.github.io
  LAMMPS tutorials for both beginners and advanced users
  ☆121Updated last week
• mushroomfire / mdapy
  A simple and fast python library to handle the data generated from molecular dynamics simulations
  ☆82Updated 3 months ago
• romerogroup / MechElastic
  A Python library to calculate elastic properties of materials.
  ☆59Updated last month
• lanl / LATTE
  Developer repository for the LATTE code
  ☆46Updated 5 months ago
• JeroenMulkers / lammps_graphene
  Lammps tutorial: graphene simulations
  ☆31Updated 5 years ago
• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆92Updated 3 months ago
• lmhale99 / atomman
  Atomistic Manipulation Toolkit
  ☆36Updated 3 weeks ago
• plrodolfo / FluidFreeEnergyforLAMMPS
  Fluid-phase Free-energy Calculation package for LAMMPS
  ☆26Updated 3 years ago
• vanceeasleaf / aces
  A wrapper for many computational codes of thermal conductivity
  ☆26Updated 3 years ago
• mlund / faunus
  A Framework for Metropolis Monte Carlo Simulation of Molecular Systems
  ☆73Updated last week
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆90Updated last month
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆126Updated this week
• slitvinov / lammps-configs
  LAMMPS configuration files
  ☆13Updated 8 years ago
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆53Updated 2 weeks ago
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆70Updated 3 months ago
• RMGDFT / rmgdft
  RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…
  ☆50Updated this week
• PacktPublishing / Extending-and-Modifying-LAMMPS-Writing-Your-Own-Source-Code
  Extending and Modifying LAMMPS Writing Your Own Source Code, published by Packt
  ☆104Updated 2 weeks ago
• espressopp / espressopp
  Main ESPResSo++ repository
  ☆45Updated 9 months ago