Alternatives and similar repositories for n2p2

Users that are interested in n2p2 are comparing it to the libraries listed below

• i-pi / i-pi
  i-PI: a universal force engine
  ☆267Updated last week
• FitSNAP / FitSNAP
  Software for generating machine-learning interatomic potentials for LAMMPS
  ☆173Updated 3 weeks ago
• paduagroup / fftool
  Tool to build force field input files for molecular simulation
  ☆176Updated 6 months ago
• mir-group / flare
  An open-source Python package for creating fast and accurate interatomic potentials.
  ☆333Updated 2 months ago
• deepmodeling / dpdata
  A Python package for manipulating atomistic data of software in computational science
  ☆215Updated last week
• MaginnGroup / PyLAT
  ☆110Updated 2 years ago
• MaterSim / PyXtal
  A code to generate atomic structure with symmetry
  ☆331Updated 2 weeks ago
• jewettaij / moltemplate
  A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
  ☆294Updated last week
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆149Updated last year
• simongravelle / lammps-input-files
  LAMMPS inputs and data files
  ☆263Updated 10 months ago
• libAtoms / QUIP
  libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
  ☆368Updated 3 months ago
• peteboyd / lammps_interface
  automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
  ☆155Updated 2 years ago
• SMTG-Bham / doped
  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…
  ☆201Updated 2 weeks ago
• MolSSI-BSE / basis_set_exchange
  A repository for quantum chemistry basis sets
  ☆181Updated last month
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆132Updated 3 years ago
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆158Updated last year
• m3g / packmol
  Packmol - Initial configurations for molecular dynamics simulations
  ☆295Updated last week
• iRASPA / RASPA2
  Classical molecular simulation code
  ☆141Updated last year
• SMTG-Bham / sumo
  Heavyweight plotting tools for ab initio calculations
  ☆227Updated 3 months ago
• materialsproject / atomate2
  atomate2 is a library of computational materials science workflows
  ☆237Updated last week
• lammpstutorials / lammpstutorials.github.io
  LAMMPS tutorials for both beginners and advanced users
  ☆119Updated this week
• atomisticnet / aenet
  Atomic interaction potentials based on artificial neural networks
  ☆119Updated last week
• materialsvirtuallab / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆124Updated 2 weeks ago
• nanotheorygroup / kaldo
  Anharmonic Lattice Dynamics
  ☆159Updated last week
• materialsvirtuallab / mlearn
  Benchmark Suite for Machine Learning Interatomic Potentials for Materials
  ☆108Updated 3 years ago
• ACEsuit / mace-foundations
  MACE foundation models (MP, OMAT, Matpes)
  ☆139Updated last month
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆91Updated last year
• quantumNerd / Quantum-Espresso-Tutorial-2019-Projects
  ☆222Updated 5 years ago
• vitroid / GenIce
  A swiss army knife to generate proton-disordered ice structures.
  ☆78Updated 2 months ago
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆68Updated 2 months ago