Alternatives and similar repositories for MILK

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

• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆45Updated this week
• sblisesivdin / gpaw-tools
  gpaw-tools is a powerful and user-friendly UI/GUI tool for conducting Density Functional Theory (DFT) and molecular dynamics (MD) calcula…
  ☆26Updated last month
• diffpy / pyobjcryst
  Python bindings to ObjCryst++ Object-Oriented Crystallographic Library
  ☆17Updated 6 months ago
• LaurentRDC / crystals
  Data structures, algorithms, and parsing for crystallography
  ☆49Updated 4 months ago
• materialsvirtuallab / nano106
  Course materials for NANO 106 - Crystallography of Materials
  ☆34Updated 2 years ago
• atomisticnet / xas-tools
  Tools related to X-ray absorption spectroscopy (XAS)
  ☆19Updated 10 months ago
• osscar-org / jupyterlab-mol-visualizer
  A JupyterLab launcher extension to view the molecular orbitals.
  ☆17Updated 8 months ago
• ulissigroup / vasp-interactive
  ☆67Updated 2 years ago
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆95Updated last month
• bjheinen / LiquidDiffract
  LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.
  ☆20Updated 11 months ago
• WMD-group / Crystal_structures
  A collection of crystal structures from first-principles simulations
  ☆32Updated 5 years ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆53Updated last week
• usnistgov / iprPy
  NIST Interatomic Potential Repository property calculation tools
  ☆23Updated last year
• WMD-group / CarrierCapture.jl
  Julia package to compute trap-assisted electron and hole capture in semiconductors
  ☆56Updated last week
• Materials-Consortia / OPTIMADE
  Specification of a common REST API for access to materials databases
  ☆87Updated 3 weeks ago
• romerogroup / MechElastic
  A Python library to calculate elastic properties of materials.
  ☆58Updated 2 years ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆61Updated last year
• CederGroupHub / alabos
  AlabOS: Managing the workflows in the Autonomous lab
  ☆43Updated 3 weeks ago
• lmhale99 / atomman
  Atomistic Manipulation Toolkit
  ☆36Updated last month
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆48Updated this week
• JQFonseca / computing_materials_science
  Jupyter notebooks for the Computing and Comunication skills 1st Year Materials Science Course at Manchester
  ☆45Updated last year
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated 6 months ago
• siesta-project / tutorials
  Tutorial material for hands-on sessions (work in progress)
  ☆25Updated 3 years ago
• ulissigroup / wherewulff
  WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions
  ☆32Updated last year
• spglib / spgrep
  On-the-fly generator of space-group irreducible representations
  ☆49Updated this week
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆48Updated this week
• chrisjsewell / ase-notebook
  Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
  ☆32Updated 2 years ago
• CederGroupHub / smol
  Statistical Mechanics on Lattices
  ☆79Updated this week
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆88Updated 2 months ago
• tproffen / DiffuseCode
  Suite of programs to simulate disordered and nanomaterials
  ☆58Updated last month