Alternatives and similar repositories for dft-book

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

• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆130Updated 3 years ago
• spglib / spglib
  C library for finding and handling crystal symmetries
  ☆320Updated this week
• materialsvirtuallab / matgenb
  Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
  ☆254Updated 3 weeks ago
• hackingmaterials / atomate
  atomate is a powerful software for computational materials science and contains pre-built workflows.
  ☆255Updated 11 months ago
• phonopy / phonopy
  Phonon code
  ☆400Updated this week
• QijingZheng / VaspBandUnfolding
  A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
  ☆237Updated 2 months ago
• CompPhysVienna / n2p2
  n2p2 - A Neural Network Potential Package
  ☆236Updated 3 months ago
• MaterSim / PyXtal
  A code to generate atomic structure with symmetry
  ☆316Updated this week
• materialsproject / mapidoc
  Public repo for Materials API documentation
  ☆141Updated 2 years ago
• materialsproject / workshop
  The Materials Project Workshop Curriculum
  ☆116Updated 2 years ago
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆183Updated this week
• SMTG-Bham / sumo
  Heavyweight plotting tools for ab initio calculations
  ☆225Updated last month
• PytLab / VASPy
  Manipulating VASP files with Python.
  ☆284Updated 3 years ago
• raman-sc / VASP
  Python program to evaluate off-resonance Raman activity using VASP code as the backend.
  ☆172Updated 8 years ago
• libAtoms / QUIP
  libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
  ☆363Updated last month
• QijingZheng / pyband
  band plot using python matplotlib
  ☆166Updated 7 months ago
• pierrehirel / atomsk
  Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
  ☆221Updated last week
• i-pi / i-pi
  i-PI: a universal force engine
  ☆263Updated this week
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆154Updated 11 months ago
• wolverton-research-group / qmpy
  A suite of computational materials science tools.
  ☆136Updated last year
• mir-group / flare
  An open-source Python package for creating fast and accurate interatomic potentials.
  ☆328Updated 3 weeks ago
• materialsvirtuallab / maml
  Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
  ☆416Updated 3 weeks ago
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆165Updated 2 weeks ago
• quantumNerd / Quantum-Espresso-Tutorial-2019-Projects
  ☆214Updated 4 years ago
• materialsvirtuallab / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆121Updated last week
• jewettaij / moltemplate
  A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
  ☆290Updated 3 months ago
• CederGroupHub / chgnet
  Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
  ☆313Updated 2 months ago
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆171Updated 3 weeks ago
• materialsproject / atomate2
  atomate2 is a library of computational materials science workflows
  ☆223Updated this week
• SMTG-Bham / doped
  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…
  ☆192Updated this week