Alternatives and similar repositories for atomate

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

• materialyzeai / matgenb
  Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
  ☆274Updated this week
• materialsproject / custodian
  A simple, robust and flexible just-in-time job management framework in Python.
  ☆171Updated 3 weeks ago
• SMTG-Bham / sumo
  Heavyweight plotting tools for ab initio calculations
  ☆241Updated 8 months ago
• materialsproject / atomate2
  atomate2 is a library of computational materials science workflows
  ☆277Updated last week
• materialsproject / crystaltoolkit
  Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.
  ☆190Updated this week
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆201Updated last week
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆158Updated this week
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆181Updated last week
• phonopy / phonopy
  Phonon code
  ☆454Updated last week
• wolverton-research-group / qmpy
  A suite of computational materials science tools.
  ☆142Updated last year
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆185Updated 2 weeks ago
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆155Updated last week
• spglib / spglib
  C library for finding and handling crystal symmetries
  ☆353Updated last month
• hackingmaterials / automatminer
  An automatic engine for predicting materials properties.
  ☆169Updated 2 years ago
• materialyzeai / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆133Updated last month
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆134Updated 3 weeks ago
• materialsproject / workshop
  The Materials Project Workshop Curriculum
  ☆117Updated 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…
  ☆234Updated this week
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆171Updated 4 months ago
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆144Updated this week
• SUNCAT-Center / catmap
  Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
  ☆114Updated last year
• MaterSim / PyXtal
  A code to generate atomic structure with symmetry
  ☆356Updated last week
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆136Updated 4 months ago
• materialscloud-org / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆152Updated last week
• henniggroup / MPInterfaces
  Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…
  ☆77Updated 2 years ago
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆130Updated this week
• raman-sc / VASP
  Python program to evaluate off-resonance Raman activity using VASP code as the backend.
  ☆179Updated last month
• libAtoms / QUIP
  libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
  ☆380Updated last week
• materialsproject / api
  New API client for the Materials Project
  ☆158Updated this week
• janosh / pymatviz
  A toolkit for visualizations in materials informatics.
  ☆297Updated 3 weeks ago