Alternatives and similar repositories for PGD-VAE

Users that are interested in PGD-VAE are comparing it to the libraries listed below

• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆22Updated 7 months ago
• xnuohz / DimeNet-dgl
  A DGL implementation of "Directional Message Passing for Molecular Graphs" (ICLR 2020).
  ☆20Updated last year
• MilesZhao / PGCGM
  Source code for generating materials with 20 space groups using PGCGM
  ☆33Updated 2 years ago
• arthurkosmala / EwaldMP
  Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)
  ☆48Updated last year
• kyonofx / scdp
  [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"
  ☆34Updated 5 months ago
• gomes-lab / Mat2Spec
  ☆28Updated 3 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
• atomicarchitects / DeNS
  [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
  ☆35Updated 3 months ago
• AC-BO-Hackathon / ac-bo-hackathon.github.io
  ☆10Updated last week
• 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
• txie-93 / polymernet
  ☆22Updated 2 years ago
• MaxH1996 / PaiNN-in-PyG
  Implementing PaiNN in Pytorch Geometric
  ☆14Updated 3 years ago
• akirasosa / pytorch-dimenet
  ☆24Updated 2 years ago
• ccr-cheng / InfGCN-pytorch
  Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.
  ☆15Updated last year
• matbench-submission-coGN / CrystalGNNs
  ☆10Updated last year
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆38Updated last year
• RishikeshMagar / Crystal-Twins
  ☆19Updated last year
• thu-wangz17 / HermNet
  Heterogeneous relational message passing networks (HermNet)
  ☆15Updated 2 years ago
• zhenpengyao / Supramolecular_VAE
  ☆32Updated 4 years ago
• mjwen / bondnet
  A graph neural network for the prediction of bond dissociation energies for molecules of any charge.
  ☆63Updated 2 years ago
• ASK-Berkeley / EScAIP
  [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential
  ☆50Updated 2 months ago
• microsoft / MOFDiff
  Coarse-grained Diffusion for Metal-Organic Framework Design
  ☆42Updated 11 months ago
• tummfm / jax-dimenet
  Jax / Haiku implementation of DimeNet++.
  ☆18Updated 3 years ago
• lzhelin / CrystalDiffusion
  ☆10Updated 4 months ago
• peterbjorgensen / msgnet
  Tensorflow implementation of message passing neural networks for molecules and materials
  ☆12Updated 5 years ago
• a1k12 / moleculetda
  A framework for using topological data analysis to extract structure/symmetry from scientific systems.
  ☆25Updated 2 years ago
• vict0rsch / faenet
  ☆34Updated 3 months ago
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• Ramprasad-Group / ML-DFT
  Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.
  ☆19Updated 9 months ago
• usccolumbia / deeperGATGNN
  Scalable graph neural networks for materials property prediction
  ☆62Updated last year