Alternatives and similar repositories for AlphaCrystal

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

• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆80Updated 6 months ago
• ruihwang / MOF-CGCNN
  We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …
  ☆21Updated 4 years ago
• tobacco-mofs / tobacco_3.0
  ☆66Updated 4 years ago
• sbanik2 / CEGANN
  Crystal Edge Graph Attention Neural Network
  ☆24Updated last year
• PV-Lab / FTCP
  FTCP code
  ☆35Updated 2 years ago
• Shen-Group / E2GNN
  ☆24Updated last year
• Minoru938 / CSPML
  Original implementation of CSPML
  ☆29Updated last year
• BingqingCheng / TiO2-water
  ☆10Updated 2 years ago
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆62Updated 5 months ago
• uowoolab / MEPO-ML
  A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.
  ☆13Updated 4 months ago
• Diego-2504 / CGCNN_tutorial
  Crystal Graph Convolutional Neural Networks tutorial
  ☆30Updated 2 years ago
• cyye001 / Con-CDVAE
  This is a conditionally generative model for crystal structures based on a modified version of CDVAE.
  ☆37Updated 2 months ago
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆28Updated 2 years ago
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆68Updated 3 years ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆77Updated last week
• MarsalekGroup / aml
  A... M... L...
  ☆53Updated 3 years ago
• MDIL-SNU / G-metaD
  Metadynamics code on the G-space.
  ☆14Updated 3 years ago
• BingqingCheng / cace
  ☆110Updated last week
• 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
• by256 / icsg3d
  3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
  ☆42Updated 2 years ago
• mogroupumd / aimd
  ☆45Updated 7 years ago
• dhw059 / DenseGNN
  DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules
  ☆28Updated 11 months ago
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆94Updated last year
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆40Updated last year
• ACEsuit / mace-foundations
  MACE foundation models (MP, OMAT, Matpes)
  ☆181Updated last month
• MilesZhao / CubicGAN
  This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.
  ☆10Updated 3 years ago
• dembart / BVlain
  The Bond valence site energy calculator
  ☆21Updated 4 months ago
• yuanyue-liu-group / CP-MACE
  ☆32Updated 3 months ago
• michaeldalverson / CrysTens
  ☆26Updated last year