Alternatives and similar repositories for OPTIMADE:

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

• materialsproject / pymatgen-db
  Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…
  ☆50Updated last week
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆47Updated last week
• JaGeo / LobsterPy
  Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…
  ☆86Updated last week
• ulissigroup / vasp-interactive
  ☆66Updated last year
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆36Updated 4 years ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆36Updated last week
• Materials-Consortia / optimade-python-tools
  Tools for implementing and consuming OPTIMADE APIs in Python
  ☆75Updated this week
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆75Updated 4 months ago
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆113Updated last week
• WMD-group / SMACT
  Python package to aid materials design and informatics
  ☆106Updated last week
• aiidateam / aiida-common-workflows
  A repository for the implementation of common workflow interfaces across materials-science codes and plugins
  ☆53Updated 5 months ago
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆56Updated last year
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆52Updated 2 years ago
• aiidateam / aiida-cp2k
  The CP2K plugin for the AiiDA workflow and provenance engine.
  ☆22Updated last week
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆94Updated 2 years ago
• cp2k / cp2k-output-tools
  Python tools to handle CP2K output files
  ☆39Updated last week
• bjmorgan / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆65Updated 3 weeks ago
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆65Updated 2 months ago
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆41Updated 3 months ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆41Updated 2 months ago
• aiidateam / aiida-quantumespresso
  The official AiiDA plugin for Quantum ESPRESSO
  ☆60Updated 2 weeks ago
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆48Updated 2 weeks ago
• dgehringer / sqsgenerator
  A command line tool written in Python/C++ for finding optimized SQS structures
  ☆46Updated this week
• libAtoms / GAP
  ☆41Updated 2 months ago
• lmhale99 / atomman
  Atomistic Manipulation Toolkit
  ☆36Updated 2 weeks ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆65Updated last year
• materialsvirtuallab / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆114Updated this week
• lrcfmd / ElMD
  The Element Movers Distance for chemical composition similarity
  ☆34Updated 3 weeks ago
• gcmt-group / sod
  Site-Occupation Disorder
  ☆42Updated last week
• vxfung / MatDeepLearn_DOS
  MatDeepLearn for DOS prediction
  ☆24Updated 2 years ago