Alternatives and similar repositories for Machine-learning-enabled-high-entropy-alloys-discovery

Users that are interested in Machine-learning-enabled-high-entropy-alloys-discovery are comparing it to the libraries listed below

• ziyuanrao11 / Machine-learning-enabled-high-entropy-alloy-discovery
  This is the code for the paper 'Machine learning-enabled high-entropy alloy discovery'
  ☆72Updated last year
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆53Updated 6 months ago
• CitrineInformatics / MPEA_dataset
  Expanded dataset of mechanical properties and observed phases of multi-principal element alloys
  ☆35Updated 2 years ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆68Updated last year
• Matgenix / pysisso
  Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.
  ☆54Updated last year
• spparks / spparks
  SPPARKS Kinetic and Metropolis Monte Carlo simulator
  ☆72Updated 5 months 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.
  ☆24Updated last week
• nuwan-d / LAMMPS_tutorials_for_short_courses
  Required LAMMPS and MATLAB files for several molecular dynamics simulations.
  ☆42Updated 3 years ago
• USCCACS / ThermalTools
  LAMMPS plugins for thermal conductivity and density of states calculation
  ☆46Updated 6 years ago
• kmcos / kmcos
  Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.
  ☆22Updated this week
• Tingliangstu / Lammps_tools
  Some scripting tools used for lammps input or output
  ☆58Updated last month
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆36Updated 4 years ago
• Roy-Kid / extending-lammps-zh
  我盗版我自己
  ☆70Updated 2 years ago
• dwsideriusNIST / LAMMPS_Examples
  Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
  ☆85Updated 3 years ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆57Updated 7 months ago
• nuwan-d / graphene_tensile_test
  LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample
  ☆32Updated 4 years ago
• hitliaomq / ElasticPOST
  POST code for second order elastic constant
  ☆42Updated 5 years ago
• CMMRLab / LUNAR
  ☆40Updated this week
• c-niu / sqs2poscar
  A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.
  ☆33Updated 9 years ago
• dadaoqiuzhi / RMD_Digging
  RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…
  ☆42Updated 3 weeks ago
• MMonCa / MMonCa
  Source code of the Kinetic Monte Carlo MMonCa, available for diffusion of dopants in crystalline materials and simulation of epitaxial gr…
  ☆27Updated last month
• YuanbaoQiang / lammps-data-processing
  针对开源模拟软件Lammps导出的数据文件，个人采用Python脚本进行数据处理并科研绘图，并取得相关的论文成果。
  ☆48Updated 4 years ago
• mbkumar / pycdt
  ☆54Updated 2 years ago
• yiming-xu / LAMMPS_Simulation
  Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling
  ☆30Updated 6 years ago
• SarkisovGitHub / PoreBlazer
  PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…
  ☆53Updated last year
• CJBartel / predict-gibbs-energies
  ☆21Updated 4 years ago
• materialsproject / workshop
  The Materials Project Workshop Curriculum
  ☆116Updated 2 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
  ☆17Updated 8 years ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆60Updated 6 years ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆129Updated 7 months ago