Alternatives and similar repositories for OPTIMADE

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

• WMD-group / SMACT
  Python package to aid materials design and informatics
  ☆128Updated last week
• materialsproject / pymatgen-db
  Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…
  ☆51Updated last week
• Materials-Consortia / optimade-python-tools
  Tools for implementing and consuming OPTIMADE APIs in Python
  ☆83Updated last week
• aiidateam / aiida-common-workflows
  A repository for the implementation of common workflow interfaces across materials-science codes and plugins
  ☆55Updated last month
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆98Updated 6 months ago
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆53Updated 2 years ago
• ulissigroup / vasp-interactive
  ☆72Updated 2 years ago
• vossjo / libbeef
  Library for Bayesian error estimation functionals for use in density functional theory codes
  ☆27Updated 2 years ago
• materialyzeai / mlearn
  Benchmark Suite for Machine Learning Interatomic Potentials for Materials
  ☆107Updated 3 years ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆67Updated last year
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆47Updated 10 months ago
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆43Updated 3 months ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆40Updated last month
• materialsproject / maggma
  Building blocks for scientific data pipelines
  ☆43Updated last week
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆125Updated last week
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆86Updated last week
• kinisi-dev / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆75Updated this week
• CederGroupHub / s4
  Solid-state synthesis science analyzer. Thermo, features, ML, and more.
  ☆26Updated 3 years ago
• mpds-io / mpds-api
  Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…
  ☆26Updated last month
• enze-chen / grip
  Grand canonical optimization of grain boundary phases.
  ☆29Updated 7 months ago
• vasp-dev / py4vasp
  Python interface for VASP
  ☆88Updated this week
• msg-byu / enumlib
  Derivative structure enumeration library
  ☆80Updated last year
• materialsproject / emmet
  Be a master builder of databases of material properties. Avoid the Kragle.
  ☆63Updated last week
• CJBartel / predict-gibbs-energies
  ☆21Updated 5 years ago
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆59Updated last week
• aiida-vasp / aiida-vasp
  A plugin to AiiDA for running simulations with VASP
  ☆58Updated last week
• aiidateam / aiida-cp2k
  The CP2K plugin for the AiiDA workflow and provenance engine.
  ☆25Updated 2 months ago
• lrcfmd / ElMD
  The Element Movers Distance for chemical composition similarity
  ☆36Updated 8 months ago
• lmhale99 / atomman
  Atomistic Manipulation Toolkit
  ☆36Updated 3 months ago
• JaGeo / LobsterPy
  Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…
  ☆105Updated last week