Alternatives and similar repositories for matscipy

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

• FitSNAP / FitSNAP
  Software for generating machine-learning interatomic potentials for LAMMPS
  ☆171Updated this week
• lammpstutorials / lammpstutorials.github.io
  LAMMPS tutorials for both beginners and advanced users
  ☆118Updated 3 weeks ago
• mushroomfire / mdapy
  A simple and fast python library to handle the data generated from molecular dynamics simulations
  ☆79Updated last month
• theochem / tinydft
  A minimalistic atomic Density Functional Theory (DFT) code
  ☆137Updated last week
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆135Updated 2 years ago
• atomisticnet / aenet
  Atomic interaction potentials based on artificial neural networks
  ☆119Updated 3 months ago
• coudertlab / elate
  ELATE: Elastic tensor analysis
  ☆83Updated last year
• MaterSim / PyXtal
  A code to generate atomic structure with symmetry
  ☆327Updated last week
• spparks / spparks
  SPPARKS Kinetic and Metropolis Monte Carlo simulator
  ☆75Updated 7 months ago
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆90Updated 3 weeks ago
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆142Updated this week
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆122Updated this week
• i-pi / i-pi
  i-PI: a universal force engine
  ☆268Updated last month
• vasp-dev / py4vasp
  Python interface for VASP
  ☆85Updated this week
• 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 4 months ago
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆87Updated last month
• zerothi / sisl
  Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
  ☆210Updated 3 weeks ago
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆173Updated this week
• iRASPA / RASPA2
  Classical molecular simulation code
  ☆141Updated last year
• materialsvirtuallab / matgenb
  Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
  ☆257Updated 3 weeks ago
• dwsideriusNIST / LAMMPS_Examples
  Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
  ☆85Updated 3 years ago
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆70Updated 2 months ago
• pierrehirel / atomsk
  Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
  ☆222Updated 2 weeks ago
• lammpstutorials / lammpstutorials-inputs
  LAMMPS input from lammpstutorials.github.io
  ☆47Updated 3 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…
  ☆198Updated 3 weeks ago
• CompPhysVienna / n2p2
  n2p2 - A Neural Network Potential Package
  ☆237Updated 4 months ago
• MaginnGroup / PyLAT
  ☆109Updated 2 years ago
• materialsproject / workshop
  The Materials Project Workshop Curriculum
  ☆116Updated 2 years ago
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆95Updated 2 months ago
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆123Updated 2 weeks ago