Alternatives and similar repositories for HEA-LM

Users that are interested in HEA-LM are comparing it to the libraries listed below

• XuhaoWan / HEA-ORR
  ☆19Updated last year
• XuhaoWan / CN-related-SACs
  ☆18Updated 4 years ago
• XuhaoWan / Pc_CO2RR_ML
  ☆25Updated 4 years ago
• joelager / Electrocatalysis-microkinetic-analysis
  Microkinetic models for electrochemical CO stripping and hydrogen oxidation
  ☆15Updated 5 years ago
• Shiliang2333 / PotentialForHEA
  收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.
  ☆36Updated 4 months ago
• mzkhalid039 / DWBuilder
  Ferroelectric/Ferroelastic domain wall builder
  ☆23Updated last year
• tyst3273 / phonon-sed
  Python codes to calculate phonon spectral energy density from LAMMPS velocity data.
  ☆29Updated 4 years ago
• hitliaomq / ElasticPOST
  POST code for second order elastic constant
  ☆44Updated 5 years ago
• ttadano / DistortPerovskite
  Script to generate distorted perovskite structures
  ☆12Updated last year
• JingshanDu / KineticMonteCarlo-FilmGrowth
  A MATLAB program for simulating film growth using Kinetic Monte Carlo.
  ☆15Updated 4 years ago
• gmp007 / elastool
  A toolkit for automatic calculation and analysis of elastic constants
  ☆13Updated 5 months ago
• MoseyQAQ / ferrodispcalc
  Python codes for calculation of polarization displacement vector in ferroelectric materials
  ☆12Updated last week
• jichunlian / disorder
  A code for generating irreducible site-occupancy configurations
  ☆51Updated last year
• oekosheri / GB_code
  A grain boundary generation code
  ☆78Updated 2 years ago
• yangjio4849 / TransOpt
  The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…
  ☆55Updated 3 years ago
• vishalsubbiah / Grain-Boundary-Energies-LAMMPS
  ☆11Updated 8 years ago
• penghao-xiao / Electrochemical-barrier
  ☆29Updated 3 years ago
• warda-rahim / phononplotter
  A tool for plotting phonon dispersion curves and phonon density of states.
  ☆11Updated 5 years ago
• dadams9 / GB-Dislocation-Interaction-LAMMPS
  Repository for the bicrystal simulations in LAMMPS used to study GB-Dislocation interaction in FCC and BCC metals
  ☆19Updated 8 years ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆64Updated last year
• Jonsnow-willow / GPUMD-Wizard
  Material structure processing software based on ASE (Atomic Simulation Environment)
  ☆62Updated last week
• QijingZheng / VASP_XDATCAR
  A python class for parsing VASP XDATCAR from molecular dynamics
  ☆26Updated last year
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆62Updated 11 months ago
• SINGROUP / VASP
  Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.
  ☆20Updated 6 years ago
• zhongliliu / elastool
  A toolkit for automatic calculation and analysis of elastic constants
  ☆54Updated last year
• by-student-2017 / lammps_education_reaxff_win
  ☆39Updated last month
• Tingliangstu / PPR-Phonon-Participation-Ratio
  Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …
  ☆24Updated 2 months ago
• USCCACS / ThermalTools
  LAMMPS plugins for thermal conductivity and density of states calculation
  ☆50Updated 6 years ago
• brucefan1983 / AGF-phonon-transport
  A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport
  ☆28Updated 5 years ago
• fangjzh / rocky-river-hpc
  bash scripts for buiding and managing hpc based on open hpc.
  ☆21Updated 2 months ago