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
  ☆278Updated 3 weeks ago
• FitSNAP / FitSNAP
  Software for generating machine-learning interatomic potentials for LAMMPS
  ☆178Updated last week
• paduagroup / fftool
  Tool to build force field input files for molecular simulation
  ☆182Updated 8 months ago
• mir-group / flare
  An open-source Python package for creating fast and accurate interatomic potentials.
  ☆338Updated last month
• jewettaij / moltemplate
  A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
  ☆302Updated 2 months ago
• MaterSim / PyXtal
  A code to generate atomic structure with symmetry
  ☆340Updated this week
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆150Updated last year
• deepmodeling / dpdata
  A Python package for manipulating atomistic data of software in computational science
  ☆226Updated this week
• MaginnGroup / PyLAT
  ☆111Updated 3 years ago
• libAtoms / QUIP
  libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
  ☆372Updated this week
• MolSSI-BSE / basis_set_exchange
  A repository for quantum chemistry basis sets
  ☆184Updated 3 months ago
• peteboyd / lammps_interface
  automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
  ☆159Updated 2 years ago
• simongravelle / lammps-input-files
  LAMMPS inputs and data files
  ☆275Updated last year
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆163Updated 3 weeks ago
• materialsproject / atomate2
  atomate2 is a library of computational materials science workflows
  ☆248Updated this week
• atomisticnet / aenet
  Atomic interaction potentials based on artificial neural networks
  ☆122Updated 2 months ago
• SMTG-Bham / doped
  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…
  ☆218Updated last week
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆93Updated last year
• iRASPA / RASPA2
  Classical molecular simulation code
  ☆144Updated last year
• materialsvirtuallab / mlearn
  Benchmark Suite for Machine Learning Interatomic Potentials for Materials
  ☆107Updated 3 years ago
• quantumNerd / Quantum-Espresso-Tutorial-2019-Projects
  ☆226Updated 5 years ago
• libAtoms / matscipy
  Materials science with Python at the atomic-scale
  ☆222Updated this week
• vitroid / GenIce
  A swiss army knife to generate proton-disordered ice structures.
  ☆79Updated last month
• 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 7 months ago
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆99Updated 3 years ago
• ACEsuit / mace-foundations
  MACE foundation models (MP, OMAT, Matpes)
  ☆153Updated last month
• crest-lab / crest
  CREST - A program for the automated exploration of low-energy molecular chemical space.
  ☆277Updated 3 months ago
• SMTG-Bham / sumo
  Heavyweight plotting tools for ab initio calculations
  ☆231Updated 5 months ago
• materialsvirtuallab / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆129Updated 2 weeks ago
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆134Updated 3 years ago