Alternatives and similar repositories for PGCGM

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

• cyye001 / Con-CDVAE
  This is a conditionally generative model for crystal structures based on a modified version of CDVAE.
  ☆38Updated 3 months ago
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆42Updated 3 years ago
• PV-Lab / FTCP
  FTCP code
  ☆36Updated 2 years ago
• matbench-submission-coGN / CrystalGNNs
  ☆11Updated 2 years ago
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆41Updated last year
• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆26Updated last year
• michaeldalverson / CrysTens
  ☆26Updated last year
• RaymondZhurm / WyCryst
  Wyckoff Inorganic Crystal Generator Framework
  ☆28Updated 10 months ago
• txie-93 / gdynet
  Unsupervised learning of atomic scale dynamics from molecular dynamics.
  ☆85Updated 4 years ago
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆87Updated 2 years ago
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆74Updated 8 months ago
• usccolumbia / deeperGATGNN
  Scalable graph neural networks for materials property prediction
  ☆63Updated 2 years ago
• xiaohang007 / SLICES
  SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS
  ☆138Updated last week
• CompRhys / roost
  Representation Learning from Stoichiometry
  ☆60Updated 3 years ago
• llnl / graphite
  A repository for implementing graph network models based on atomic structures.
  ☆103Updated last year
• Minoru938 / CSPML
  Original implementation of CSPML
  ☆29Updated last year
• Shen-Group / E2GNN
  ☆24Updated last year
• WMD-group / ElementEmbeddings
  Python package to interact with high-dimensional representations of the chemical elements
  ☆48Updated last week
• gomes-lab / Mat2Spec
  ☆29Updated 3 years ago
• sbanik2 / CEGANN
  Crystal Edge Graph Attention Neural Network
  ☆23Updated last year
• learningmatter-mit / surface-sampling
  MCMC-based algorithm for sampling surface reconstructions
  ☆38Updated 4 months 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.
  ☆22Updated last year
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆63Updated 2 months ago
• AIforGreatGood / charge3net
  [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials
  ☆71Updated 11 months ago
• by256 / icsg3d
  3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
  ☆43Updated 2 years ago
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆68Updated 3 years ago
• good4488 / ZeoGAN
  Zeolite GAN
  ☆25Updated 5 years ago
• zhantaochen / phonondos_e3nn
  Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"
  ☆28Updated 3 years ago
• imagdau / aseMolec
  ☆32Updated 4 months ago
• MilesZhao / CubicGAN
  This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.
  ☆10Updated 3 years ago