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.
  ☆260Updated last year
• materialsvirtuallab / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆127Updated last month
• SMTG-Bham / doped
  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…
  ☆216Updated 3 weeks ago
• materialsproject / workshop
  The Materials Project Workshop Curriculum
  ☆116Updated 2 years ago
• SMTG-Bham / sumo
  Heavyweight plotting tools for ab initio calculations
  ☆228Updated 5 months ago
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆177Updated this week
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆125Updated 2 weeks ago
• MaterSim / PyXtal
  A code to generate atomic structure with symmetry
  ☆336Updated 2 weeks ago
• materialsproject / atomate2
  atomate2 is a library of computational materials science workflows
  ☆244Updated this week
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆145Updated last week
• hackingmaterials / automatminer
  An automatic engine for predicting materials properties.
  ☆164Updated last year
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆190Updated last week
• Tomoki-YAMASHITA / CrySPY
  CrySPY is a crystal structure prediction tool written in Python.
  ☆140Updated this week
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆156Updated last week
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆169Updated 2 months ago
• WMD-group / SMACT
  Python package to aid materials design and informatics
  ☆123Updated last week
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆132Updated 3 years ago
• materialsproject / custodian
  A simple, robust and flexible just-in-time job management framework in Python.
  ☆160Updated 3 weeks ago
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆162Updated last week
• vasp-dev / py4vasp
  Python interface for VASP
  ☆86Updated 2 weeks ago
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆106Updated last month
• materialsvirtuallab / mlearn
  Benchmark Suite for Machine Learning Interatomic Potentials for Materials
  ☆108Updated 3 years ago
• materialsvirtuallab / matgenb
  Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
  ☆264Updated last month
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆132Updated last week
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆87Updated last year
• materialsproject / api
  New API client for the Materials Project
  ☆148Updated this week
• SUNCAT-Center / catmap
  Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
  ☆108Updated last year
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆98Updated 3 years ago
• Materials-Consortia / OPTIMADE
  Specification of a common REST API for access to materials databases
  ☆97Updated last week
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆142Updated 6 months ago