Alternatives and similar repositories for OGCNN

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

• CompRhys / roost
  Representation Learning from Stoichiometry
  ☆59Updated 2 years ago
• BingqingCheng / cace
  ☆77Updated 3 weeks ago
• michaeldalverson / CrysTens
  ☆24Updated 9 months ago
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆59Updated 2 years ago
• by256 / icsg3d
  3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
  ☆41Updated 2 years ago
• Tinystormjojo / geo-CGNN
  ☆33Updated 10 months ago
• imagdau / aseMolec
  ☆25Updated last year
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆68Updated this week
• mir-group / pair_nequip_allegro
  LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials
  ☆42Updated this week
• RaymondZhurm / WyCryst
  Wyckoff Inorganic Crystal Generator Framework
  ☆21Updated 2 months ago
• hyllios / CGAT
  Crystal graph attention neural networks for materials prediction
  ☆27Updated last year
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆55Updated last year
• JoshRackers / equivariant_electron_density
  Generate and predict molecular electron densities with Euclidean Neural Networks
  ☆48Updated last year
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆57Updated last month
• OUnke / SpookyNet
  Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"
  ☆74Updated 3 years ago
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆90Updated last year
• 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 …
  ☆18Updated 3 years ago
• atomisticnet / tools-and-data
  A collection of tools and databases for atomistic machine learning
  ☆48Updated 3 years ago
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• Yangxinsix / painn-sli
  This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…
  ☆22Updated 11 months ago
• pfnet-research / charge_transfer_nnp
  Graph neural network potential with charge transfer
  ☆35Updated 3 years ago
• PV-Lab / FTCP
  FTCP code
  ☆34Updated last year
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆47Updated 3 years ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆26Updated last year
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆76Updated last week
• kaist-amsg / Synthesizability-PU-CGCNN
  ☆31Updated 3 years ago
• sbanik2 / CEGANN
  Crystal Edge Graph Attention Neural Network
  ☆21Updated 11 months ago
• ICAMS / python-ace
  ☆84Updated 6 months ago
• uf3 / uf3
  UF3: a python library for generating ultra-fast interatomic potentials
  ☆66Updated 7 months ago
• materialsvirtuallab / matcalc
  A python library for calculating materials properties from the PES
  ☆88Updated this week