Alternatives and similar repositories for Molara

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

• SMTG-Bham / doped
  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…
  ☆207Updated last week
• i-pi / i-pi
  i-PI: a universal force engine
  ☆269Updated last week
• SMTG-Bham / sumo
  Heavyweight plotting tools for ab initio calculations
  ☆228Updated 4 months ago
• CompPhysVienna / n2p2
  n2p2 - A Neural Network Potential Package
  ☆239Updated 5 months ago
• materialsproject / atomate2
  atomate2 is a library of computational materials science workflows
  ☆239Updated this week
• zerothi / sisl
  Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
  ☆212Updated this week
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆155Updated 3 weeks ago
• spglib / spglib
  C library for finding and handling crystal symmetries
  ☆330Updated last week
• phonopy / phonopy
  Phonon code
  ☆425Updated this week
• giacomomarchioro / PyEnergyDiagrams
  This is a simple script to plot energy profile diagrams using Python and matplotlib.
  ☆173Updated last month
• quantumNerd / Quantum-Espresso-Tutorial-2019-Projects
  ☆223Updated 5 years ago
• MolSSI-BSE / basis_set_exchange
  A repository for quantum chemistry basis sets
  ☆183Updated last month
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆87Updated last month
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆140Updated 5 months ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆130Updated this week
• MaterSim / PyXtal
  A code to generate atomic structure with symmetry
  ☆334Updated 3 weeks ago
• ICAMS / python-ace
  ☆92Updated 9 months ago
• edeprince3 / pdaggerq
  ☆51Updated last week
• ajjackson / ascii-phonons
  Blender extensions for illustrations of phonons
  ☆66Updated 6 years ago
• materialsproject / custodian
  A simple, robust and flexible just-in-time job management framework in Python.
  ☆160Updated 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 5 months ago
• blevine37 / pySpawn17
  A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations
  ☆23Updated 7 months ago
• leeping / geomeTRIC
  Geometry optimization code that includes the TRIC coordinate system
  ☆185Updated last month
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆97Updated 3 years ago
• nanotheorygroup / kaldo
  Anharmonic Lattice Dynamics
  ☆160Updated last week
• FitSNAP / FitSNAP
  Software for generating machine-learning interatomic potentials for LAMMPS
  ☆175Updated this week
• pranabdas / espresso
  Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.
  ☆144Updated last week
• msg-byu / enumlib
  Derivative structure enumeration library
  ☆77Updated 9 months ago
• psi4 / psi4numpy
  Combining Psi4 and Numpy for education and development.
  ☆376Updated last year
• aiidateam / aiida-cp2k
  The CP2K plugin for the AiiDA workflow and provenance engine.
  ☆25Updated 2 months ago