Alternatives and similar repositories for alloy2vec

Users that are interested in alloy2vec are comparing it to the libraries listed below

• materialsproject / pymatgen-analysis-alloys
  pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing …
  ☆15Updated last month
• rajak7 / Bayesian_Optimization_Material_design
  Accelerated Design of Layered Materials with Bayesian Optimization
  ☆19Updated 6 years ago
• KRICT-DATA / SIMD
  ☆13Updated 2 years ago
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆60Updated 10 months ago
• CumbyLab / gridrdf
  Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…
  ☆12Updated 2 years ago
• angeloziletti / ai4materials
  Deep learning for crystal-structure recognition and analysis of atomic structures
  ☆44Updated last year
• simongravelle / GOMC-inputs
  Input script for Monte Carlo (GCMC) simulations
  ☆19Updated last year
• ajjackson / mctools
  Quick tools for materials chemistry
  ☆19Updated last year
• deepmaterials / slmat
  SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27
  ☆20Updated 4 months ago
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 3 years ago
• pylada / pylada-defects
  A computational framework to automate point defect calculations
  ☆38Updated 7 years ago
• usnistgov / intermat
  Project to setup and analyze interface calculations using density functional theory.
  ☆22Updated last month
• deepmodeling / APEX
  APEX: Alloy Properties EXplorer using simulations
  ☆37Updated 5 months ago
• ttadano / ALM
  ☆21Updated last year
• jkitchin / dft-book-espresso
  New version of dft-book for Quantum Espresso
  ☆46Updated 5 years ago
• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆22Updated 2 years ago
• xtalopt / randSpg
  Random symmetric initialization of crystals
  ☆23Updated 7 years ago
• YueyuZhang / IM2ODE
  Inverse Design of Materials by Multi-objective Differential Evolution
  ☆49Updated 6 years ago
• maise-guide / maise
  MAISE Module for Ab Initio Structure Evolution (MAISE)
  ☆35Updated 2 weeks ago
• hackingmaterials / materials-coord
  MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms
  ☆19Updated 2 years ago
• luzihen / pymatgen_examples
  Some examples of using pymatgen code
  ☆23Updated last year
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆37Updated 5 years ago
• materialsvirtuallab / nano266
  Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials
  ☆22Updated 10 months ago
• janosh / thermo
  Data-driven risk-conscious thermoelectric materials discovery
  ☆16Updated last month
• lrcfmd / ChemDASH
  Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments
  ☆22Updated 2 years ago
• haidi-ustc / maptool
  Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.
  ☆17Updated 2 years ago
• MDIL-SNU / SPINNER
  SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)
  ☆14Updated last year
• BingqingCheng / Mapping-the-space-of-materials-and-molecules
  ☆12Updated 5 years ago
• MDIL-SNU / AMP2
  ☆22Updated 2 years ago
• optados-developers / optados
  Official Repository of the Optados code
  ☆23Updated 6 months ago