Alternatives and similar repositories for Encoding-Decoding-3D-Crystals

Users that are interested in Encoding-Decoding-3D-Crystals are comparing it to the libraries listed below

• OUnke / SpookyNet
  Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"
  ☆72Updated 3 years ago
• zhenpengyao / Supramolecular_VAE
  ☆32Updated 4 years ago
• TUM-DAML / gemnet_tf
  GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
  ☆26Updated 2 years ago
• txie-93 / gdynet
  Unsupervised learning of atomic scale dynamics from molecular dynamics.
  ☆81Updated 3 years ago
• CompRhys / roost
  Representation Learning from Stoichiometry
  ☆59Updated 2 years ago
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• gomes-lab / Mat2Spec
  ☆28Updated 3 years ago
• asmanouira / CrystalGAN
  Learning to Discover Crystallographic Structures with Generative Adversarial Networks
  ☆38Updated 5 years ago
• by256 / icsg3d
  3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
  ☆41Updated 2 years ago
• kaist-amsg / imatgen
  image-based generative model for inverse design of solid state materials
  ☆40Updated 3 years ago
• sbanik2 / CEGANN
  Crystal Edge Graph Attention Neural Network
  ☆21Updated 10 months ago
• PV-Lab / FTCP
  FTCP code
  ☆34Updated last year
• txie-93 / polymernet
  ☆22Updated 2 years ago
• Tinystormjojo / geo-CGNN
  ☆33Updated 10 months ago
• peterbjorgensen / msgnet
  Tensorflow implementation of message passing neural networks for molecules and materials
  ☆12Updated 5 years ago
• MilesZhao / PGCGM
  Source code for generating materials with 20 space groups using PGCGM
  ☆32Updated 2 years ago
• a1k12 / moleculetda
  A framework for using topological data analysis to extract structure/symmetry from scientific systems.
  ☆25Updated 2 years ago
• JoshRackers / equivariant_electron_density
  Generate and predict molecular electron densities with Euclidean Neural Networks
  ☆47Updated last year
• kaist-amsg / Synthesizability-PU-CGCNN
  ☆30Updated 3 years ago
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆75Updated 2 years ago
• zhantaochen / phonondos_e3nn
  Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"
  ☆27Updated 2 years ago
• kyonofx / MDsim
  [TMLR 2023] Training and simulating MD with ML force fields
  ☆112Updated 6 months ago
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆37Updated 11 months ago
• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆20Updated 7 months ago
• davkovacs / BOTNet-datasets
  This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.
  ☆18Updated 2 years ago
• arthurkosmala / EwaldMP
  Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)
  ☆47Updated last year
• matbench-submission-coGN / CrystalGNNs
  ☆10Updated last year
• torchmd / torchmd-cg
  Example to fit parameters and run CG simulations using TorchMD and Schnet
  ☆45Updated 3 years ago
• usccolumbia / mtransformer
  Materials Transformers
  ☆25Updated 2 years ago
• tummfm / difftre
  Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
  ☆31Updated last year