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
  ☆179Updated 2 months ago
• lammpstutorials / lammpstutorials.github.io
  LAMMPS tutorials for both beginners and advanced users
  ☆129Updated 2 months ago
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆94Updated 4 months ago
• theochem / tinydft
  A minimalistic atomic Density Functional Theory (DFT) code
  ☆144Updated this week
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆141Updated 2 years ago
• mushroomfire / mdapy
  A simple and fast python library to handle the data generated from molecular dynamics simulations
  ☆87Updated last 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.
  ☆64Updated 9 months ago
• atomisticnet / aenet
  Atomic interaction potentials based on artificial neural networks
  ☆126Updated last week
• iRASPA / RASPA2
  Classical molecular simulation code
  ☆145Updated last year
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆71Updated 7 months ago
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆126Updated last week
• MaterSim / PyXtal
  A code to generate atomic structure with symmetry
  ☆351Updated last week
• i-pi / i-pi
  i-PI: a universal force engine
  ☆284Updated last month
• dwsideriusNIST / LAMMPS_Examples
  Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
  ☆87Updated 4 years ago
• coudertlab / elate
  ELATE: Elastic tensor analysis
  ☆89Updated 3 months ago
• mir-group / flare_pp
  A many-body extension of the FLARE code.
  ☆38Updated 3 years ago
• lammpstutorials / lammpstutorials-inputs
  LAMMPS input from lammpstutorials.github.io
  ☆57Updated 2 months ago
• zerothi / sisl
  Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
  ☆217Updated last week
• Andrew-S-Rosen / periodic_trends
  Python script to plot periodic trends as a heat map over the periodic table of elements
  ☆111Updated last month
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆152Updated last year
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆132Updated this week
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆182Updated 3 weeks ago
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆154Updated last week
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆99Updated 7 months ago
• MaginnGroup / PyLAT
  ☆111Updated 3 years ago
• materialyzeai / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆131Updated last week
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆86Updated last week
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆94Updated last year
• SPARC-X / SPARC
  Simulation Package for Ab-initio Real-space Calculations
  ☆94Updated 3 weeks ago
• CompPhysVienna / n2p2
  n2p2 - A Neural Network Potential Package
  ☆240Updated 9 months ago