Alternatives and similar repositories for dft-course:

Users that are interested in dft-course are comparing it to the libraries listed below

• WMD-group / ASE-Tutorials
  Examples of using the Atomic Simulation Environment
  ☆33Updated 9 years ago
• QEF / q-e_schrodinger
  Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite
  ☆19Updated 9 months ago
• WMD-group / Crystal_structures
  A collection of crystal structures from first-principles simulations
  ☆31Updated 5 years ago
• jkitchin / python-reaxff
  python wrappers for generating training files for the ReaxFF code
  ☆24Updated 11 years ago
• materialsvirtuallab / nano106
  Course materials for NANO 106 - Crystallography of Materials
  ☆34Updated 2 years ago
• bjmorgan / VASP-Utilities
  A collection of command line utilities for manipulating VASP input / outpu
  ☆25Updated 3 years ago
• QEF / postqe
  ☆17Updated last year
• ltalirz / asetk
  Toolkit using the Atomistic Simulation Environment (ASE)
  ☆19Updated 4 years ago
• dmorse / simpatico
  Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids
  ☆33Updated 2 years ago
• qmcurrents / gimic
  Gauge-including magnetically induced currents.
  ☆28Updated last year
• arohl / gdis
  A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures
  ☆43Updated 3 weeks ago
• bjmorgan / bsym
  A Basic Symmetry Module (Python)
  ☆17Updated this week
• pylada / pylada
  High-Throughput Computational Physics Framework
  ☆12Updated 7 years ago
• wolverton-research-group / periodic-table-plotter
  Make periodic table map plots and pettifor-style trend plots.
  ☆28Updated 7 years ago
• usnistgov / pyPRISM
  A framework for conducting polymer reference interaction site model (PRISM) calculations
  ☆42Updated 3 years ago
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆60Updated 7 months ago
• lavakyan / ase-bimetall
  Collection of ASE (Atomic Simulation Environment) Scripts for Bimetallic Nanoparticles
  ☆10Updated 3 years ago
• jkitchin / jasp
  python enhancements of ase.calculators.vasp
  ☆28Updated 8 years ago
• WMD-group / kgrid
  Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations
  ☆23Updated 2 years ago
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆85Updated 11 months ago
• nguyen-group / QERaman
  A open-source program for computing the first-order resonance Raman spectroscopy based on Quantum ESPRESSO
  ☆14Updated 3 months ago
• MaterialsDiscovery / PyChemia
  Python Materials Discovery Framework
  ☆71Updated last year
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆42Updated last year
• ashtonmv / twod_materials
  High throughput workflow tools for characterizing 2D materials in VASP.
  ☆21Updated last year
• WMD-group / Phonons
  A collection of structures, force constants and phonon data obtained from first-principles calculations
  ☆40Updated 4 years ago
• alexvakimov / pyxaid-code
  The main branch of the Pyxaid code
  ☆12Updated 7 years ago
• uw-cmg / MAST
  MAterials Simulation Toolkit for use with pymatgen
  ☆17Updated last year
• ericwwelch314 / VASP-DFT-Tutorial
  General outline of how to perform DFT calculation using VASP with some advanced calculation topics as well
  ☆17Updated 6 years ago
• JFurness1 / EnergyLeveller
  A python script to plot an energy level diagram from an input file.
  ☆28Updated 4 years ago
• brandongc / lfdft
  Density Functional Theory with Finite Difference and Lagrange Function Basis Sets
  ☆14Updated 9 years ago