Alternatives and similar repositories for imd

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

• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆92Updated 2 months ago
• materialyzeai / nano106
  Course materials for NANO 106 - Crystallography of Materials
  ☆36Updated 3 years ago
• GOMC-WSU / GOMC
  GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
  ☆85Updated 2 months ago
• NWChemEx / NWChemEx
  A top-level, user-focused, conglomerate repo for the NWChemEx project.
  ☆18Updated last month
• dmorse / simpatico
  Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids
  ☆35Updated 3 years ago
• SSAGESproject / SSAGES
  Software Suite for Advanced General Ensemble Simulations
  ☆90Updated 2 years ago
• lanl / LATTE
  Developer repository for the LATTE code
  ☆49Updated this week
• jkitchin / jasp
  python enhancements of ase.calculators.vasp
  ☆28Updated 9 years ago
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆51Updated 2 years ago
• votca / csg
  Coarse-graining potentials from atomistic references made easy
  ☆26Updated 4 years ago
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆68Updated last year
• CPMD-code / CPMD
  The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…
  ☆50Updated 3 years ago
• polysimtools / pysimm
  python simulation interface for molecular modeling
  ☆103Updated 3 years ago
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆94Updated 6 months ago
• votca / votca
  The source of the votca-csg and xtp packages
  ☆58Updated this week
• libmbd / libmbd
  Many-body dispersion library
  ☆59Updated 3 months ago
• 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…
  ☆70Updated 4 years ago
• mlund / faunus
  A Framework for Metropolis Monte Carlo Simulation of Molecular Systems
  ☆72Updated last week
• dwsideriusNIST / LAMMPS_Examples
  Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
  ☆87Updated 4 years ago
• libAtoms / GAP
  ☆44Updated last week
• lmhale99 / atomman
  Atomistic Manipulation Toolkit
  ☆36Updated 5 months ago
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆69Updated last year
• jkitchin / python-reaxff
  python wrappers for generating training files for the ReaxFF code
  ☆24Updated 11 years ago
• mhoffman / kmos
  kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier
  ☆59Updated last week
• potfit / potfit
  potfit force-matching code
  ☆42Updated last year
• FitSNAP / FitSNAP
  Software for generating machine-learning interatomic potentials for LAMMPS
  ☆182Updated 3 months ago
• OrderN / CONQUEST-release
  Full public release of large scale and linear scaling DFT code CONQUEST
  ☆117Updated this week
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆100Updated 3 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
• dylan-jayatilaka / tonto
  for Quantum Crystallography
  ☆27Updated last month