Alternatives and similar repositories for crysgnn

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

• YKQ98 / Matformer
  Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)
  ☆109Updated 2 years ago
• usccolumbia / deeperGATGNN
  Scalable graph neural networks for materials property prediction
  ☆63Updated last year
• kdmsit / Awesome-Crystal-GNNs
  This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials
  ☆111Updated 2 months ago
• ChangwenXu98 / TransPolymer
  Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch
  ☆83Updated 2 years ago
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• MilesZhao / PGCGM
  Source code for generating materials with 20 space groups using PGCGM
  ☆34Updated 3 years ago
• cyye001 / Con-CDVAE
  This is a conditionally generative model for crystal structures based on a modified version of CDVAE.
  ☆38Updated 2 months ago
• llnl / graphite
  A repository for implementing graph network models based on atomic structures.
  ☆102Updated last year
• hspark1212 / MOFTransformer
  Universal Transfer Learning in Porous Materials, including MOFs.
  ☆114Updated last year
• usccolumbia / mtransformer
  Materials Transformers
  ☆25Updated 2 years ago
• zcao0420 / MOFormer
  Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction
  ☆59Updated 2 years ago
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆86Updated 2 years ago
• AIforGreatGood / charge3net
  [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials
  ☆70Updated 10 months ago
• lantunes / CrystaLLM
  A Large Language Model of the CIF format for Crystal Structure Generation
  ☆146Updated 3 months ago
• schwallergroup / AdsMT
  Multimodal Transformer for Predicting Global Minimum Adsorption Energy
  ☆27Updated 9 months ago
• chiang-yuan / llamp
  A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scient…
  ☆88Updated 2 months ago
• lzhelin / CrystalDiffusion
  ☆10Updated 11 months ago
• atomicarchitects / DeNS
  [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
  ☆39Updated 11 months ago
• xiaohang007 / SLICES
  SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS
  ☆137Updated 3 weeks ago
• michaeldalverson / CrysTens
  ☆26Updated last year
• kdmsit / crysxpp
  CrysXPP: An Explainable Property Predictor for Crystalline Materials (NPJ Computational Materials - 2022)
  ☆20Updated 2 years ago
• atomistic-machine-learning / schnetpack-gschnet
  G-SchNet extension for SchNetPack
  ☆63Updated last month
• matbench-submission-coGN / CrystalGNNs
  ☆11Updated 2 years ago
• usnistgov / jarvis_leaderboard
  A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w
  ☆72Updated 2 months ago
• RUIMINMA1996 / PI1M
  A benchmark dataset for polymer informatics.
  ☆84Updated 4 years ago
• good4488 / ZeoGAN
  Zeolite GAN
  ☆25Updated 5 years ago
• hoon-ock / CatBERTa
  Large Language Model for Catalyst Property Prediction
  ☆26Updated last year
• Henrium / MolSets
  Molecular graph deep sets learning for mixture property modeling.
  ☆30Updated 11 months ago
• PV-Lab / FTCP
  FTCP code
  ☆36Updated 2 years ago
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆71Updated 7 months ago