Alternatives and similar repositories for crysgnn

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

• usccolumbia / deeperGATGNN
  Scalable graph neural networks for materials property prediction
  ☆62Updated last year
• YKQ98 / Matformer
  Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)
  ☆100Updated last year
• MilesZhao / PGCGM
  Source code for generating materials with 20 space groups using PGCGM
  ☆33Updated 2 years ago
• kdmsit / Awesome-Crystal-GNNs
  This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials
  ☆98Updated last month
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• ChangwenXu98 / TransPolymer
  Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch
  ☆70Updated last year
• cyye001 / Con-CDVAE
  This is a conditionally generative model for crystal structures based on a modified version of CDVAE.
  ☆33Updated this week
• LLNL / graphite
  A repository for implementing graph network models based on atomic structures.
  ☆85Updated 11 months ago
• hspark1212 / MOFTransformer
  Universal Transfer Learning in Porous Materials, including MOFs.
  ☆105Updated last year
• kyonofx / scdp
  [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"
  ☆35Updated 7 months ago
• schwallergroup / AdsMT
  Multimodal Transformer for Predicting Global Minimum Adsorption Energy
  ☆17Updated 3 months ago
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆80Updated 2 years ago
• zcao0420 / MOFormer
  Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction
  ☆52Updated last year
• lzhelin / CrystalDiffusion
  ☆10Updated 6 months ago
• AIforGreatGood / charge3net
  Higher-order equivariant neural networks for charge density prediction in materials
  ☆59Updated 4 months ago
• atomistic-machine-learning / schnetpack-gschnet
  G-SchNet extension for SchNetPack
  ☆59Updated 8 months ago
• Matgen-project / MOFNet
  Deep learning model for predicting adsorption isotherms of MOFs
  ☆14Updated 2 years ago
• PV-Lab / FTCP
  FTCP code
  ☆34Updated last year
• usccolumbia / mtransformer
  Materials Transformers
  ☆25Updated 2 years ago
• lantunes / CrystaLLM
  A Large Language Model of the CIF format for Crystal Structure Generation
  ☆112Updated 6 months ago
• WanyuGroup / AI-for-Crystal-Materials
  AI for crystal materials
  ☆71Updated last week
• michaeldalverson / CrysTens
  ☆26Updated 10 months ago
• usnistgov / jarvis_leaderboard
  A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w
  ☆69Updated 3 weeks ago
• kdmsit / crysxpp
  CrysXPP: An Explainable Property Predictor for Crystalline Materials (NPJ Computational Materials - 2022)
  ☆17Updated 2 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
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆40Updated last year
• matbench-submission-coGN / CrystalGNNs
  ☆10Updated last year
• vertaix / LLM-Prop
  A repository for the LLM-Prop implementation
  ☆42Updated last year
• trachote / dp-cdvae
  Diffusion Probabilistic CDVAE
  ☆24Updated last year
• cuitaoyong / GPIP
  ☆18Updated 11 months ago