Alternatives and similar repositories for crystals

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

• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated last month
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆154Updated last week
• Materials-Consortia / OPTIMADE
  Specification of a common REST API for access to materials databases
  ☆98Updated last week
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆97Updated 3 weeks ago
• materialsproject / jobflow
  jobflow is a library for writing computational workflows.
  ☆116Updated this week
• chrisjsewell / ase-notebook
  Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
  ☆34Updated 3 years ago
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆50Updated 2 years ago
• lmhale99 / atomman
  Atomistic Manipulation Toolkit
  ☆36Updated 4 months ago
• aiidateam / aiida-tutorials
  AiiDA tutorials web site
  ☆24Updated 2 months ago
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆94Updated 4 months ago
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆46Updated this week
• diffpy / pyobjcryst
  Python bindings to ObjCryst++ Object-Oriented Crystallographic Library
  ☆17Updated 3 weeks ago
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆71Updated 7 months ago
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆92Updated 3 weeks ago
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆132Updated this week
• bjheinen / LiquidDiffract
  LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.
  ☆20Updated 6 months ago
• sgsaenger / vipster
  Visualization and editing of periodic molecular structure files.
  ☆27Updated 8 months ago
• nomad-coe / electronic-parsers
  ☆23Updated last week
• aiidateam / aiida-common-workflows
  A repository for the implementation of common workflow interfaces across materials-science codes and plugins
  ☆55Updated last week
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆68Updated 11 months ago
• tproffen / DiffuseCode
  Suite of programs to simulate disordered and nanomaterials
  ☆61Updated this week
• libAtoms / pymatnest
  Nested Sampling code
  ☆34Updated 6 months ago
• 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 11 months ago
• dftd3 / simple-dftd3
  Library first implementation of the D3 dispersion correction
  ☆76Updated 4 months ago
• romerogroup / MechElastic
  A Python library to calculate elastic properties of materials.
  ☆59Updated 5 months ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆47Updated 10 months ago
• openkim / kim-api
  The Open Knowledgebase of Interatomic Models (OpenKIM) aims to be an online resource for standardized testing, long-term warehousing and …
  ☆35Updated 3 weeks ago
• lmmentel / ase-espresso
  ase interface for Quantum Espresso
  ☆22Updated 4 years ago
• OrderN / CONQUEST-release
  Full public release of large scale and linear scaling DFT code CONQUEST
  ☆115Updated 2 weeks ago
• materialyzeai / nano106
  Course materials for NANO 106 - Crystallography of Materials
  ☆36Updated 3 years ago