Alternatives and similar repositories for aiida-workgraph

Users that are interested in aiida-workgraph are comparing it to the libraries listed below

• aiidateam / aiida-cp2k
  The CP2K plugin for the AiiDA workflow and provenance engine.
  ☆25Updated this week
• sphuber / aiida-shell
  AiiDA plugin that makes running shell commands easy.
  ☆15Updated 4 months ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆40Updated this week
• aiidaplugins / aiida-lammps
  LAMMPS plugin for AiiDA
  ☆25Updated last week
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆43Updated last month
• aiidateam / aiida-common-workflows
  A repository for the implementation of common workflow interfaces across materials-science codes and plugins
  ☆54Updated 10 months ago
• vossjo / libbeef
  Library for Bayesian error estimation functionals for use in density functional theory codes
  ☆26Updated 2 years ago
• ulissigroup / vasp-interactive
  ☆69Updated 2 years ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆64Updated last year
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆40Updated 7 months ago
• Materials-Consortia / OPTIMADE
  Specification of a common REST API for access to materials databases
  ☆97Updated last week
• superstar54 / weas-widget
  A widget to visualize and edit atomic structures in Jupyter Notebook
  ☆38Updated 7 months ago
• aiida-vasp / aiida-vasp
  A plugin to AiiDA for running simulations with VASP
  ☆56Updated last week
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆56Updated last week
• vasp-dev / py4vasp
  Python interface for VASP
  ☆86Updated 2 weeks ago
• kinisi-dev / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆73Updated 2 weeks ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆46Updated 8 months ago
• msg-byu / enumlib
  Derivative structure enumeration library
  ☆78Updated 10 months ago
• orex / supercell
  The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
  ☆103Updated last year
• dgehringer / sqsgenerator
  A for finding optimized SQS structures tool written in C++
  ☆51Updated this week
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆53Updated 2 years ago
• JaGeo / LobsterPy
  Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…
  ☆104Updated last month
• FedeDat / VASP-tutorial
  Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…
  ☆27Updated 2 years ago
• mir-group / flare_pp
  A many-body extension of the FLARE code.
  ☆36Updated 3 years ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆82Updated 2 weeks ago
• ICAMS / python-ace
  ☆95Updated 10 months ago
• materialsvirtuallab / mlearn
  Benchmark Suite for Machine Learning Interatomic Potentials for Materials
  ☆108Updated 3 years ago
• PabloPiaggi / EnvironmentFinder
  Tool for finding atomic environments in crystal structures
  ☆22Updated 4 months ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆90Updated 3 weeks ago
• aiidalab / aiidalab-qe
  AiiDAlab App for Quantum ESPRESSO
  ☆20Updated 2 weeks ago