Alternatives and similar repositories for examples

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

• dftbplus / dftbplus
  DFTB+ general package for performing fast atomistic simulations
  ☆374Updated 2 weeks ago
• CompPhysVienna / n2p2
  n2p2 - A Neural Network Potential Package
  ☆236Updated 4 months ago
• jewettaij / moltemplate
  A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
  ☆293Updated 3 months ago
• m3g / packmol
  Packmol - Initial configurations for molecular dynamics simulations
  ☆284Updated this week
• libAtoms / QUIP
  libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
  ☆364Updated 2 months ago
• i-pi / i-pi
  i-PI: a universal force engine
  ☆266Updated 3 weeks ago
• libAtoms / matscipy
  Materials science with Python at the atomic-scale
  ☆212Updated last week
• FitSNAP / FitSNAP
  Software for generating machine-learning interatomic potentials for LAMMPS
  ☆168Updated this week
• simongravelle / lammps-input-files
  LAMMPS inputs and data files
  ☆258Updated 9 months ago
• pierrehirel / atomsk
  Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
  ☆221Updated 3 weeks ago
• lammpstutorials / lammpstutorials.github.io
  LAMMPS tutorials for both beginners and advanced users
  ☆117Updated this week
• dftd4 / dftd4
  Generally Applicable Atomic-Charge Dependent London Dispersion Correction
  ☆190Updated this week
• MolSSI-BSE / basis_set_exchange
  A repository for quantum chemistry basis sets
  ☆176Updated 4 months ago
• 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 3 months ago
• mrkllntschpp / lammps-tutorials
  LAMMPS tutorials for Beginners
  ☆394Updated 2 years ago
• dwsideriusNIST / LAMMPS_Examples
  Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
  ☆85Updated 3 years ago
• deepmodeling / dpdata
  A Python package for manipulating atomistic data of software in computational science
  ☆211Updated last week
• glotzerlab / hoomd-blue
  Molecular dynamics and Monte Carlo soft matter simulation on GPUs.
  ☆381Updated this week
• paduagroup / fftool
  Tool to build force field input files for molecular simulation
  ☆172Updated 4 months ago
• theochem / tinydft
  A minimalistic atomic Density Functional Theory (DFT) code
  ☆137Updated last week
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆134Updated 2 years ago
• giacomomarchioro / PyEnergyDiagrams
  This is a simple script to plot energy profile diagrams using Python and matplotlib.
  ☆165Updated last year
• mir-group / flare
  An open-source Python package for creating fast and accurate interatomic potentials.
  ☆329Updated last month
• vitroid / GenIce
  A swiss army knife to generate proton-disordered ice structures.
  ☆75Updated last month
• MaterSim / PyXtal
  A code to generate atomic structure with symmetry
  ☆320Updated this week
• spglib / spglib
  C library for finding and handling crystal symmetries
  ☆321Updated this week
• atomisticnet / aenet
  Atomic interaction potentials based on artificial neural networks
  ☆119Updated 3 months ago
• pyiron / pyiron
  pyiron - an integrated development environment (IDE) for computational materials science.
  ☆411Updated this week
• ThFriedrich / lammps_vscode
  VSCODE extension for language support of LAMMPS scripts
  ☆49Updated 2 weeks ago
• MaginnGroup / PyLAT
  ☆108Updated 2 years ago