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.
  ☆37Updated last month
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆41Updated last year
• matbench-submission-coGN / CrystalGNNs
  ☆10Updated last year
• PV-Lab / FTCP
  FTCP code
  ☆35Updated 2 years ago
• michaeldalverson / CrysTens
  ☆26Updated last year
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆70Updated 6 months ago
• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆25Updated last year
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆85Updated 2 years ago
• RaymondZhurm / WyCryst
  Wyckoff Inorganic Crystal Generator Framework
  ☆26Updated 8 months ago
• mir-group / pair_nequip_allegro
  LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials
  ☆58Updated 2 months ago
• Shen-Group / E2GNN
  ☆23Updated last year
• LLNL / graphite
  A repository for implementing graph network models based on atomic structures.
  ☆96Updated last year
• xiaohang007 / SLICES
  SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS
  ☆127Updated last month
• learningmatter-mit / surface-sampling
  MCMC-based algorithm for sampling surface reconstructions
  ☆37Updated 2 months ago
• kaist-amsg / Synthesizability-PU-CGCNN
  ☆34Updated 3 years ago
• AIforGreatGood / charge3net
  [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials
  ☆67Updated 9 months ago
• hspark1212 / MOFTransformer
  Universal Transfer Learning in Porous Materials, including MOFs.
  ☆114Updated last year
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆62Updated 2 weeks ago
• Minoru938 / CSPML
  Original implementation of CSPML
  ☆28Updated 11 months ago
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆79Updated 6 months ago
• jiaor17 / DiffCSP-PP
  [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"
  ☆53Updated 2 weeks ago
• parkjunkil / ZeoDiff
  ☆20Updated 2 weeks ago
• sbanik2 / CEGANN
  Crystal Edge Graph Attention Neural Network
  ☆24Updated last year
• gomes-lab / Mat2Spec
  ☆29Updated 3 years ago
• zhenpengyao / Supramolecular_VAE
  ☆34Updated 2 months ago
• trachote / dp-cdvae
  Diffusion Probabilistic CDVAE
  ☆25Updated last year
• txie-93 / gdynet
  Unsupervised learning of atomic scale dynamics from molecular dynamics.
  ☆83Updated 3 years ago
• snurr-group / mofid
  A system for rapid identification and analysis of metal-organic frameworks
  ☆63Updated last year
• hspark1212 / MOFreinforce
  A Reinforcement Framework for Inverse Design of MOFs
  ☆34Updated last year