Alternatives and similar repositories for kaldo

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

• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆135Updated 3 months ago
• aboys-cb / NepTrainKit
  NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.
  ☆110Updated this week
• brucefan1983 / GPUMD-Tutorials
  Tutorials related to GPUMD
  ☆73Updated last week
• bigd4 / PyNEP
  A python interface of NEP
  ☆67Updated 2 months ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆90Updated 2 months ago
• Jonsnow-willow / GPUMD-Wizard
  Material structure processing software based on ASE (Atomic Simulation Environment)
  ☆64Updated last month
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆68Updated last year
• zhyan0603 / GPUMDkit
  A Toolkit for GPUMD&NEP
  ☆98Updated this week
• materialyzeai / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆132Updated 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…
  ☆229Updated this week
• ICAMS / python-ace
  ☆101Updated last year
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆111Updated this week
• oekosheri / GB_code
  A grain boundary generation code
  ☆79Updated 2 years ago
• brucefan1983 / NEP_CPU
  CPU version of NEP
  ☆90Updated last week
• Tingliangstu / pySED
  To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.
  ☆48Updated last week
• yuanyue-liu-group / CP-VASP
  ☆60Updated last year
• MaginnGroup / PyLAT
  ☆111Updated 3 years ago
• VASPsol / VASPsol
  ☆73Updated 8 months ago
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆171Updated 3 months ago
• BingqingCheng / TiO2-water
  ☆10Updated 2 years ago
• atomly-materials-research-lab / GPTFF
  GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner
  ☆65Updated 2 weeks ago
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆42Updated last year
• SMTG-Bham / sumo
  Heavyweight plotting tools for ab initio calculations
  ☆238Updated 8 months ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆96Updated this week
• mbkumar / pycdt
  ☆61Updated 3 years ago
• materialyzeai / mlearn
  Benchmark Suite for Machine Learning Interatomic Potentials for Materials
  ☆109Updated 3 years ago
• kumagai-group / pydefect
  Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
  ☆65Updated last month
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆116Updated last year
• mogroupumd / aimd
  ☆45Updated 7 years ago
• msg-byu / enumlib
  Derivative structure enumeration library
  ☆80Updated last year