Alternatives and similar repositories for examples

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

• jewettaij / moltemplate
  A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
  ☆303Updated last month
• dftbplus / dftbplus
  DFTB+ general package for performing fast atomistic simulations
  ☆407Updated last week
• m3g / packmol
  Packmol - Initial configurations for molecular dynamics simulations
  ☆327Updated last month
• i-pi / i-pi
  i-PI: a universal force engine
  ☆284Updated last month
• CompPhysVienna / n2p2
  n2p2 - A Neural Network Potential Package
  ☆240Updated 9 months ago
• lammpstutorials / lammpstutorials.github.io
  LAMMPS tutorials for both beginners and advanced users
  ☆131Updated 3 months ago
• libAtoms / matscipy
  Materials science with Python at the atomic-scale
  ☆228Updated this week
• libAtoms / QUIP
  libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
  ☆377Updated 2 weeks ago
• MolSSI-BSE / basis_set_exchange
  A repository for quantum chemistry basis sets
  ☆186Updated last month
• FitSNAP / FitSNAP
  Software for generating machine-learning interatomic potentials for LAMMPS
  ☆179Updated 2 months ago
• simongravelle / lammps-input-files
  LAMMPS inputs and data files
  ☆292Updated last year
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆141Updated 2 years ago
• pierrehirel / atomsk
  Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
  ☆237Updated this week
• dftd4 / dftd4
  Generally Applicable Atomic-Charge Dependent London Dispersion Correction
  ☆204Updated this week
• vitroid / GenIce
  A swiss army knife to generate proton-disordered ice structures.
  ☆80Updated 3 weeks ago
• paduagroup / fftool
  Tool to build force field input files for molecular simulation
  ☆185Updated 3 weeks ago
• mrkllntschpp / lammps-tutorials
  LAMMPS tutorials for Beginners
  ☆429Updated 2 years ago
• theochem / tinydft
  A minimalistic atomic Density Functional Theory (DFT) code
  ☆144Updated 2 weeks ago
• MaterSim / PyXtal
  A code to generate atomic structure with symmetry
  ☆352Updated this week
• dwsideriusNIST / LAMMPS_Examples
  Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
  ☆87Updated 4 years ago
• mushroomfire / mdapy
  A simple and fast python library to handle the data generated from molecular dynamics simulations
  ☆90Updated last week
• giacomomarchioro / PyEnergyDiagrams
  This is a simple script to plot energy profile diagrams using Python and matplotlib.
  ☆178Updated 5 months ago
• abinit / abinit
  The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…
  ☆252Updated 4 months ago
• iRASPA / RASPA2
  Classical molecular simulation code
  ☆146Updated 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 9 months ago
• deepmodeling / dpdata
  A Python package for manipulating atomistic data of software in computational science
  ☆240Updated 2 weeks 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
• psi4 / psi4numpy
  Combining Psi4 and Numpy for education and development.
  ☆384Updated 2 years ago
• brucefan1983 / Molecular-Dynamics-Simulation
  Sample codes for my book on molecular dynamics simulation
  ☆272Updated last month
• lammpstutorials / lammpstutorials-inputs
  LAMMPS input from lammpstutorials.github.io
  ☆57Updated 3 months ago