Alternatives and similar repositories for doped

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

• SMTG-Bham / sumo
  Heavyweight plotting tools for ab initio calculations
  ☆228Updated 5 months ago
• materialsvirtuallab / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆127Updated last month
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆106Updated last month
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆132Updated last week
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆156Updated last week
• nanotheorygroup / kaldo
  Anharmonic Lattice Dynamics
  ☆163Updated this week
• materialsproject / atomate2
  atomate2 is a library of computational materials science workflows
  ☆244Updated this week
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆162Updated last week
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆132Updated 3 years ago
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆177Updated this week
• QijingZheng / VaspBandUnfolding
  A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
  ☆248Updated 5 months ago
• materialsproject / workshop
  The Materials Project Workshop Curriculum
  ☆116Updated 2 years ago
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆190Updated last week
• oekosheri / GB_code
  A grain boundary generation code
  ☆76Updated 2 years ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆88Updated last year
• Tomoki-YAMASHITA / CrySPY
  CrySPY is a crystal structure prediction tool written in Python.
  ☆140Updated this week
• QijingZheng / pyband
  band plot using python matplotlib
  ☆175Updated 11 months ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆90Updated 3 weeks ago
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆169Updated 2 months ago
• MaginnGroup / PyLAT
  ☆111Updated 2 years ago
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆125Updated 2 weeks ago
• FitSNAP / FitSNAP
  Software for generating machine-learning interatomic potentials for LAMMPS
  ☆178Updated last month
• MaterSim / PyXtal
  A code to generate atomic structure with symmetry
  ☆336Updated 2 weeks ago
• VASPsol / VASPsol
  ☆66Updated 5 months ago
• ICAMS / python-ace
  ☆95Updated 10 months ago
• raman-sc / VASP
  Python program to evaluate off-resonance Raman activity using VASP code as the backend.
  ☆176Updated 9 years ago
• materialsvirtuallab / mlearn
  Benchmark Suite for Machine Learning Interatomic Potentials for Materials
  ☆108Updated 3 years ago
• ACEsuit / mace-foundations
  MACE foundation models (MP, OMAT, Matpes)
  ☆148Updated 3 weeks ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆114Updated last year
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆81Updated 4 months ago