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 2 months ago
• sphuber / aiida-shell
  AiiDA plugin that makes running shell commands easy.
  ☆15Updated 3 months ago
• aiidateam / aiida-common-workflows
  A repository for the implementation of common workflow interfaces across materials-science codes and plugins
  ☆54Updated 10 months ago
• ulissigroup / vasp-interactive
  ☆68Updated 2 years ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆40Updated last month
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆64Updated last year
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆55Updated 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 2 weeks ago
• aiidaplugins / aiida-lammps
  LAMMPS plugin for AiiDA
  ☆25Updated this week
• aiida-vasp / aiida-vasp
  A plugin to AiiDA for running simulations with VASP
  ☆56Updated this week
• JaGeo / LobsterPy
  Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…
  ☆103Updated 2 weeks ago
• superstar54 / weas-widget
  A widget to visualize and edit atomic structures in Jupyter Notebook
  ☆37Updated 6 months ago
• vossjo / libbeef
  Library for Bayesian error estimation functionals for use in density functional theory codes
  ☆26Updated 2 years ago
• 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
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆39Updated 6 months ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆46Updated 7 months ago
• materialsvirtuallab / matcalc
  A python library for calculating materials properties from the PES
  ☆117Updated last week
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆48Updated 3 years ago
• msg-byu / enumlib
  Derivative structure enumeration library
  ☆77Updated 10 months ago
• vasp-dev / py4vasp
  Python interface for VASP
  ☆85Updated last week
• kinisi-dev / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆73Updated last week
• dgehringer / sqsgenerator
  A for finding optimized SQS structures tool written in C++
  ☆50Updated this week
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆53Updated 2 years ago
• stfc / aiida-mlip
  machine learning interatomic potentials aiida plugin
  ☆16Updated this week
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆64Updated 2 years ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆87Updated 2 weeks ago
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆98Updated 3 years ago
• cp2k / cp2k-input-tools
  Fully validating pure-python CP2K input file tools including preprocessing capabilities
  ☆55Updated this week
• ICAMS / python-ace
  ☆93Updated 9 months ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆55Updated 2 weeks ago