Alternatives and similar repositories for crystaltoolkit

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

• hackingmaterials / atomate
  atomate is a powerful software for computational materials science and contains pre-built workflows.
  ☆257Updated last year
• materialsproject / custodian
  A simple, robust and flexible just-in-time job management framework in Python.
  ☆160Updated last week
• materialsvirtuallab / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆124Updated 2 weeks ago
• materialsproject / atomate2
  atomate2 is a library of computational materials science workflows
  ☆238Updated this week
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆123Updated this week
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆155Updated 2 weeks ago
• SMTG-Bham / sumo
  Heavyweight plotting tools for ab initio calculations
  ☆227Updated 3 months ago
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆143Updated this week
• SMTG-Bham / doped
  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…
  ☆201Updated 2 weeks ago
• vasp-dev / py4vasp
  Python interface for VASP
  ☆85Updated last week
• materialsproject / api
  New API client for the Materials Project
  ☆143Updated 3 weeks ago
• Tomoki-YAMASHITA / CrySPY
  CrySPY is a crystal structure prediction tool written in Python.
  ☆135Updated last month
• MaterSim / PyXtal
  A code to generate atomic structure with symmetry
  ☆331Updated 3 weeks ago
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆169Updated 3 weeks ago
• materialsproject / workshop
  The Materials Project Workshop Curriculum
  ☆116Updated 2 years ago
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆132Updated 3 years ago
• WMD-group / SMACT
  Python package to aid materials design and informatics
  ☆121Updated 3 weeks ago
• materialsvirtuallab / matgenb
  Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
  ☆257Updated 3 weeks ago
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆173Updated 3 weeks ago
• janosh / pymatviz
  A toolkit for visualizations in materials informatics.
  ☆261Updated 2 weeks ago
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆101Updated this week
• hackingmaterials / automatminer
  An automatic engine for predicting materials properties.
  ☆162Updated last year
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆138Updated 4 months ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆130Updated 9 months ago
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆87Updated last year
• wolverton-research-group / qmpy
  A suite of computational materials science tools.
  ☆139Updated last year
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆187Updated 2 weeks ago
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆97Updated 3 years ago
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆95Updated 3 months ago
• materialsproject / emmet
  Be a master builder of databases of material properties. Avoid the Kragle.
  ☆63Updated this week