Alternatives and similar repositories for MILK

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

• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated last week
• JQFonseca / computing_materials_science
  Jupyter notebooks for the Computing and Comunication skills 1st Year Materials Science Course at Manchester
  ☆46Updated last year
• bjheinen / LiquidDiffract
  LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.
  ☆20Updated last 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…
  ☆27Updated 2 weeks ago
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆95Updated 3 weeks ago
• materialsvirtuallab / nano106
  Course materials for NANO 106 - Crystallography of Materials
  ☆34Updated 3 years ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆64Updated last year
• romerogroup / MechElastic
  A Python library to calculate elastic properties of materials.
  ☆58Updated 3 years ago
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆89Updated 4 months ago
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆45Updated this week
• osscar-org / jupyterlab-mol-visualizer
  A JupyterLab launcher extension to view the molecular orbitals.
  ☆19Updated 9 months ago
• spparks / spparks
  SPPARKS Kinetic and Metropolis Monte Carlo simulator
  ☆72Updated 5 months ago
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆51Updated last week
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆44Updated 4 months ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆68Updated last year
• siesta-project / tutorials
  Tutorial material for hands-on sessions (work in progress)
  ☆25Updated 4 years ago
• jkitchin / python-reaxff
  python wrappers for generating training files for the ReaxFF code
  ☆24Updated 11 years ago
• tproffen / DiffuseCode
  Suite of programs to simulate disordered and nanomaterials
  ☆55Updated last month
• ISISNeutronMuon / MDANSE
  MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments
  ☆26Updated this week
• vasp-dev / py4vasp
  Python interface for VASP
  ☆85Updated this week
• quantumVITAS / quantumVITAS
  Quantum Visualization Interacting Toolkit for Ab-initio Simulations
  ☆72Updated 4 years ago
• ulissigroup / vasp-interactive
  ☆67Updated 2 years ago
• DanPorter / Dans_Diffraction
  Reads crystallographic cif files and simulates diffraction
  ☆64Updated last month
• QijingZheng / phonon_angular_momentum
  ☆12Updated 2 years ago
• lammpstutorials / lammpstutorials-inputs
  LAMMPS input from lammpstutorials.github.io
  ☆42Updated 2 months ago
• ariahosseini / ThermoElectric
  ThermoElectric is a computational framework that computes electron transport coefficients.
  ☆23Updated 9 months ago
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆87Updated last year
• diffpy / pyobjcryst
  Python bindings to ObjCryst++ Object-Oriented Crystallographic Library
  ☆17Updated 8 months ago
• times-software / feff10
  ☆27Updated last week
• costrouc / dftfit
  Interatomic potential creating using DFT training data.
  ☆27Updated 5 years ago