Alternatives and similar repositories for NepTrainKit:

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

• Jonsnow-willow / GPUMD-Wizard
  Material structure processing software based on ASE (Atomic Simulation Environment)
  ☆50Updated last month
• tang070205 / tools
  Some scripts for gpumd and nep
  ☆29Updated last week
• zhyan0603 / GPUMDkit
  A Toolkit for GPUMD&NEP
  ☆23Updated last week
• aboys-cb / NepTrain
  An automated toolkit for training neuroevolution potential (NEP), integrating tools like GPUMD, VASP, and NEP for streamlined workflows i…
  ☆17Updated last week
• AlexGabourie / gpyumd
  A Python interface for GPUMD
  ☆30Updated 2 years ago
• Kick-H / For_gpumd
  Some examples of GPUMD
  ☆22Updated 11 months ago
• bigd4 / PyNEP
  A python interface of NEP
  ☆50Updated 4 months ago
• brucefan1983 / NEP_CPU
  CPU version of NEP
  ☆63Updated last month
• AlexGabourie / thermo
  GPUMD and LAMMPS helper functions for thermal computations
  ☆25Updated 2 years ago
• hhmmxr / tools
  Some scripts for gpumd and nep
  ☆20Updated 6 months ago
• hityingph / Tutorial-on-atomic-simulations
  Tutorials on atomic simulations related to my research
  ☆27Updated 2 years ago
• psn417 / nep_extrapolation
  ☆11Updated last month
• Tingliangstu / Phonon-Vibration-Viewer
  Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)
  ☆28Updated last year
• Tingliangstu / pySED
  To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.
  ☆33Updated 2 months ago
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆19Updated last month
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆124Updated 6 months ago
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆65Updated last year
• VASPsol / VASPsol
  ☆47Updated 3 weeks ago
• FourPhonon / Fourthorder
  In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …
  ☆27Updated last year
• kumagai-group / pydefect
  Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
  ☆57Updated this week
• WeibinChu / CA-NAC
  Concentric Approximation - Non-adiabatic Coupling
  ☆24Updated 2 months ago
• yangjio4849 / TransOpt
  The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…
  ☆54Updated 2 years ago
• AdityaRoy-1996 / Phonopy_VESTA
  Export Eigenvectors from Phonopy format to VESTA
  ☆43Updated 4 months ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆86Updated 8 months ago
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆41Updated 3 months ago
• Tingliangstu / New-Version-Spectral-decomposition-python-tools
  (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.
  ☆29Updated 4 months ago
• Chengcheng-Xiao / VASP_OPT_AXIS
  Fix lattice component(s) during relaxation in VASP
  ☆116Updated 3 years ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆66Updated last year
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆56Updated 6 months ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆60Updated 5 years ago