Alternatives and similar repositories for crysmmnet

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

• kdmsit / Awesome-Crystal-GNNs
  This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials
  ☆108Updated last month
• kdmsit / crysgnn
  CrysGNN : Distilling pre-trained knowledge to enhance property prediction for crystalline materials. (AAAI-2023)
  ☆29Updated 10 months ago
• wu-han-lin / CrysBFN
  ☆20Updated 5 months ago
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆129Updated last year
• YKQ98 / Matformer
  Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)
  ☆109Updated last year
• yuanqidu / LeftNet
  ☆60Updated last year
• RishikeshMagar / Crystal-Twins
  ☆19Updated 2 years ago
• facebookresearch / JMP
  Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
  ☆61Updated last year
• facebookresearch / crystal-text-llm
  Large language models to generate stable crystals.
  ☆116Updated last year
• liugangcode / Graph-DiT
  The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"
  ☆98Updated 6 months ago
• ChangwenXu98 / TransPolymer
  Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch
  ☆80Updated 2 years ago
• GenSI-THUAIR / MolFM
  Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
  ☆40Updated last year
• AlexDuvalinho / geometric-gnns
  List of Geometric GNNs for 3D atomic systems
  ☆119Updated last year
• parkjunkil / MOFFUSION
  Multi-modal conditioning diffusion model for MOFs generation
  ☆39Updated 3 weeks ago
• zcao0420 / MOFormer
  Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction
  ☆59Updated 2 years ago
• sarpaykent / GotenNet
  [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks
  ☆59Updated 2 months ago
• jiaor17 / DiffCSP
  [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"
  ☆135Updated 7 months ago
• nayoung10 / MOFFlow
  Implementation for MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks
  ☆18Updated 3 months ago
• facebookresearch / flowmm
  Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…
  ☆169Updated last year
• vertaix / LLM-Prop
  A repository for the LLM-Prop implementation
  ☆49Updated last year
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆98Updated 2 years ago
• fengshikun / UniGEM
  ☆25Updated 8 months ago
• facebookresearch / all-atom-diffusion-transformer
  Official implementation of All Atom Diffusion Transformers (ICML 2025)
  ☆278Updated 3 months ago
• chenruduan / OAReactDiff
  An object-aware diffusion model for generating chemical reactions
  ☆142Updated last year
• yuanqidu / M2Hub
  ☆48Updated last year
• atomistic-machine-learning / schnetpack-gschnet
  G-SchNet extension for SchNetPack
  ☆63Updated last month
• ZhixunLEE / Awesome-AI-for-Materials-Generation
  [arXiv 2025] Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey
  ☆35Updated last month
• rxn4chemistry / multimodal-spectroscopic-dataset
  Code for generation and benchmarks of the Multimodal Spectroscopic Dataset
  ☆51Updated 5 months ago
• usccolumbia / deeperGATGNN
  Scalable graph neural networks for materials property prediction
  ☆63Updated last year
• sadmanomee / OOD_Materials_Benchmark
  Structure-based out-of-distribution (OOD) material property prediction: a benchmark study
  ☆15Updated 6 months ago