Alternatives and similar repositories for pymatgen-db

Users that are interested in pymatgen-db are comparing it to the libraries listed below

• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆61Updated last week
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆69Updated last year
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆53Updated 2 years ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆47Updated 2 weeks ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆86Updated last month
• ulissigroup / vasp-interactive
  ☆73Updated 2 years ago
• vossjo / libbeef
  Library for Bayesian error estimation functionals for use in density functional theory codes
  ☆28Updated 2 years ago
• jrschmidt2 / periodic-NBO
  ☆36Updated 6 years ago
• msg-byu / enumlib
  Derivative structure enumeration library
  ☆80Updated last year
• JaGeo / LobsterPy
  Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…
  ☆108Updated 2 weeks ago
• aiidateam / aiida-common-workflows
  A repository for the implementation of common workflow interfaces across materials-science codes and plugins
  ☆55Updated last week
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆89Updated last week
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆68Updated 11 months ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆48Updated 3 years ago
• libAtoms / GAP
  ☆44Updated 2 weeks ago
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆57Updated 2 years ago
• aiida-vasp / aiida-vasp
  A plugin to AiiDA for running simulations with VASP
  ☆60Updated this week
• dgehringer / sqsgenerator
  A tool for finding optimized SQS structures tool written in C++
  ☆60Updated last month
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆72Updated 7 months ago
• materialyzeai / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆37Updated 5 years ago
• kinisi-dev / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆77Updated last week
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆44Updated 4 months ago
• materialsproject / emmet
  Be a master builder of databases of material properties. Avoid the Kragle.
  ☆63Updated this week
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆100Updated 7 months ago
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆69Updated last year
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆94Updated last year
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆65Updated 2 years ago
• gcmt-group / sod
  Site-Occupation Disorder
  ☆47Updated 9 months ago
• ulissigroup / GASpy
  ☆73Updated 4 years ago
• henniggroup / MPInterfaces
  Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…
  ☆76Updated last year