Alternatives and similar repositories for dft-course

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

• wolverton-research-group / periodic-table-plotter
  Make periodic table map plots and pettifor-style trend plots.
  ☆28Updated 7 years ago
• materialyzeai / nano106
  Course materials for NANO 106 - Crystallography of Materials
  ☆36Updated 3 years ago
• dmorse / simpatico
  Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids
  ☆35Updated 3 years ago
• usnistgov / pyPRISM
  A framework for conducting polymer reference interaction site model (PRISM) calculations
  ☆45Updated last week
• alexvakimov / pyxaid-code
  The main branch of the Pyxaid code
  ☆12Updated 8 years ago
• matthewghgriffiths / fastoverlap
  Algorithms for fast alignment of structures in finite and periodic systems.
  ☆14Updated 3 years ago
• gabrielelanaro / chemview
  The new generation molecular viewer for IPython notebook
  ☆82Updated 5 years ago
• jkitchin / python-reaxff
  python wrappers for generating training files for the ReaxFF code
  ☆24Updated 11 years ago
• pylada / pylada
  High-Throughput Computational Physics Framework
  ☆13Updated 8 years ago
• geem-lab / pnictogen
  ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages
  ☆17Updated 6 years ago
• QEF / q-e_schrodinger
  Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite
  ☆19Updated last year
• jaapkroe / polypy
  polygon (ring network) discovery from XYZ files
  ☆10Updated 9 years ago
• ericwwelch314 / VASP-DFT-Tutorial
  General outline of how to perform DFT calculation using VASP with some advanced calculation topics as well
  ☆17Updated 7 years ago
• qmcurrents / gimic
  Gauge-including magnetically induced currents.
  ☆31Updated 2 years ago
• sgsaenger / vipster
  Visualization and editing of periodic molecular structure files.
  ☆27Updated 9 months ago
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆92Updated last month
• MaterialsDiscovery / PyChemia
  Python Materials Discovery Framework
  ☆75Updated last year
• grimme-lab / qc2-teaching
  Resources for teaching quantum chemistry courses in Bonn
  ☆42Updated 5 months ago
• MihailBogojeski / ml-dft
  A package for density functional approximation using machine learning.
  ☆27Updated 5 years ago
• OpenMD / OpenMD
  Molecular Dynamics in the Open
  ☆85Updated 2 months ago
• setten / GW100
  GW100 data repository and post processing tools
  ☆14Updated last month
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆50Updated 2 years ago
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆68Updated 11 months ago
• alesgenova / pbcpy
  Python package providing some useful tools when dealing with molecules and materials under periodic boundary conditions and uniform grids…
  ☆19Updated 5 years ago
• AndreHAM / Thermodynamics-and-Statistical-Physics
  Codes and tutorials on thermodynamics and statistical physics
  ☆16Updated 2 years ago
• votca / csg
  Coarse-graining potentials from atomistic references made easy
  ☆26Updated 4 years ago
• molmod / tamkin
  TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.
  ☆23Updated 2 years ago
• joaander / hoomd-blue
  ☆19Updated 3 years ago
• shirtsgroup / checkensemble
  This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …
  ☆14Updated 7 years ago
• lmmentel / ase-espresso
  ase interface for Quantum Espresso
  ☆22Updated 4 years ago