Alternatives and similar repositories for masci-tools

Users that are interested in masci-tools are comparing it to the libraries listed below

• nomad-coe / electronic-parsers
  ☆23Updated 2 weeks ago
• spglib / moyo
  Library for Crystal Symmetry in Rust
  ☆58Updated last week
• Matgenix / turbomoleio
  Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…
  ☆21Updated 10 months ago
• aiidateam / aiida-tutorials
  AiiDA tutorials web site
  ☆24Updated last month
• mturiansky / abcv
  A python-based crystal viewer built upon the fresnel and pymatgen libraries.
  ☆16Updated last year
• hema-ted / pycdft
  ☆30Updated 5 years ago
• aiida-phonopy / aiida-phonopy
  Phonons for AiiDA
  ☆20Updated 2 months ago
• bjmorgan / bsym
  A Basic Symmetry Module (Python)
  ☆17Updated 2 weeks ago
• kylebystrom / pawpyseed
  Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
  ☆33Updated 4 years ago
• spglib / spgrep
  On-the-fly generator of space-group irreducible representations
  ☆56Updated this week
• abelcarreras / posym
  Point symmetry analysis tool for theoretical chemistry objects
  ☆21Updated last month
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆53Updated 2 years ago
• materialsproject / pyrho
  ☆42Updated this week
• lmhale99 / atomman
  Atomistic Manipulation Toolkit
  ☆36Updated 2 months ago
• lrcfmd / ElMD
  The Element Movers Distance for chemical composition similarity
  ☆36Updated 7 months ago
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 3 years ago
• iDEA-org / iDEA
  interacting Dynamic Electrons Approach
  ☆28Updated last week
• aiidateam / aiida-common-workflows
  A repository for the implementation of common workflow interfaces across materials-science codes and plugins
  ☆55Updated 2 weeks ago
• 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 2 weeks ago
• msg-byu / autoGR
  Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density
  ☆40Updated last year
• chrisjsewell / ase-notebook
  Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
  ☆34Updated 2 years ago
• nanotech-empa / aiida-gaussian
  AiiDA plugin for Gaussian quantum chemistry software
  ☆12Updated last month
• Materials-Consortia / OPTIMADE
  Specification of a common REST API for access to materials databases
  ☆98Updated last week
• pyscal / pyscal3
  More efficient and faster version of pyscal
  ☆25Updated 6 months ago
• perturbo-code / perturbopy
  Suite of Python scripts for Perturbo testing and postprocessing
  ☆15Updated last month
• ltalirz / atomistic-software
  Tracking citations of atomistic simulation engines
  ☆26Updated last week
• pmla / auguste
  Minimum-strain symmetrization of Bravais lattices
  ☆18Updated 5 years ago
• QEF / qeschema
  ☆17Updated last year
• openkim / kliff
  KIM-based Learning-Integrated Fitting Framework for interatomic potentials.
  ☆39Updated this week
• lmmentel / ase-espresso
  ase interface for Quantum Espresso
  ☆22Updated 4 years ago