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 last week
• bjmorgan / bsym
  A Basic Symmetry Module (Python)
  ☆17Updated 2 months ago
• aiida-phonopy / aiida-phonopy
  The official AiiDA plugin for Phonopy
  ☆20Updated 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
• spglib / moyo
  Library for Crystal Symmetry in Rust
  ☆69Updated this week
• chrisjsewell / ase-notebook
  Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
  ☆35Updated 3 years ago
• materialsproject / pyrho
  ☆42Updated 2 weeks ago
• kylebystrom / pawpyseed
  Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
  ☆34Updated 4 years ago
• dftlibs / numgrid
  Numerical integration grid for molecules.
  ☆50Updated last week
• ltalirz / atomistic-software
  Tracking citations of atomistic simulation engines
  ☆27Updated this 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 last year
• abelcarreras / posym
  Point symmetry analysis tool for theoretical chemistry objects
  ☆21Updated 2 months ago
• iDEA-org / iDEA
  interacting Dynamic Electrons Approach
  ☆28Updated 3 months ago
• MihailBogojeski / ml-dft
  A package for density functional approximation using machine learning.
  ☆27Updated 5 years ago
• ltalirz / asetk
  Toolkit using the Atomistic Simulation Environment (ASE)
  ☆20Updated 5 years ago
• funkymunkycool / Cube-Toolz
  Python tool to manipulate Gaussian cube files
  ☆49Updated 2 years ago
• nanotech-empa / aiida-gaussian
  AiiDA plugin for Gaussian quantum chemistry software
  ☆12Updated last month
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆98Updated last week
• SINGROUP / matid
  MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…
  ☆23Updated 2 years 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
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆53Updated 2 years ago
• aiidateam / aiida-tutorials
  AiiDA tutorials web site
  ☆24Updated 4 months ago
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆68Updated last year
• aiidateam / aiida-common-workflows
  A repository for the implementation of common workflow interfaces across materials-science codes and plugins
  ☆55Updated last month
• dilkins / TENSOAP
  Public repository for symmetry-adapted Gaussian Process Regression (SA-GPR)
  ☆22Updated last year
• grimme-lab / multicharge
  Electronegativity equilibration model for atomic partial charges
  ☆22Updated 3 months ago
• Sassafrass6 / XtraCrysPy
  A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.
  ☆21Updated last year
• ncfrey / pytopomat
  Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.
  ☆30Updated 4 years ago
• environ-developers / Environ
  A fortran package and library for continuum embedding calculations in materials and molecules
  ☆20Updated 3 weeks ago