Alternatives and similar repositories for aflow

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

• mohanliu / qmpy_rester
  A toolkit for querying data in OQMD.
  ☆22Updated 4 years ago
• CompRhys / roost
  Representation Learning from Stoichiometry
  ☆59Updated 3 years ago
• usccolumbia / MLatticeABC
  Machine learning model for crystal lattice constant prediction
  ☆14Updated 4 years ago
• CJBartel / TestStabilityML
  ☆26Updated 2 years ago
• originofmatter / MatGAN
  Generative deep learning model for inorganic materials
  ☆19Updated 2 years ago
• SUNCAT-Center / CatLearn
  A machine learning environment for atomic-scale modeling in surface science and catalysis.
  ☆116Updated last year
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆127Updated last week
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆71Updated this week
• by256 / icsg3d
  3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
  ☆42Updated 2 years ago
• asmanouira / CrystalGAN
  Learning to Discover Crystallographic Structures with Generative Adversarial Networks
  ☆39Updated 6 years ago
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆94Updated last year
• lrcfmd / ElMD
  The Element Movers Distance for chemical composition similarity
  ☆36Updated 9 months ago
• blaiszik / Materials-Databases
  ☆102Updated 3 months ago
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆100Updated 7 months ago
• vxfung / MatDeepLearn_DOS
  MatDeepLearn for DOS prediction
  ☆26Updated 3 years ago
• romerogroup / MechElastic
  A Python library to calculate elastic properties of materials.
  ☆59Updated 5 months ago
• lrcfmd / ChemDASH
  Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments
  ☆22Updated 2 years ago
• CJBartel / predict-gibbs-energies
  ☆21Updated 5 years ago
• materialsproject / mpmorph
  MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…
  ☆73Updated last year
• kaist-amsg / CGCNN-HD
  ☆16Updated 3 years ago
• kaist-amsg / imatgen
  image-based generative model for inverse design of solid state materials
  ☆41Updated 3 years ago
• MGEdata / SuperalloyDigger
  The functions of superalloyDigger toolkit include batch downloading documents in XML and TXT format from the Elsevier database, locating …
  ☆66Updated 6 months ago
• CederGroupHub / smol
  Statistical Mechanics on Lattices
  ☆91Updated this week
• hackingmaterials / matminer_examples
  A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code
  ☆120Updated 4 years ago
• MaterialsDiscovery / PyChemia
  Python Materials Discovery Framework
  ☆75Updated last year
• tongzhugroup / mddatasetbuilder
  A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.
  ☆40Updated 3 weeks ago
• WMD-group / SMACT
  Python package to aid materials design and informatics
  ☆129Updated this week
• angeloziletti / ai4materials
  Deep learning for crystal-structure recognition and analysis of atomic structures
  ☆42Updated last year
• MilesZhao / CubicGAN
  This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.
  ☆10Updated 3 years ago
• atomisticnet / aenet
  Atomic interaction potentials based on artificial neural networks
  ☆126Updated 3 weeks ago