Alternatives and similar repositories for CrysBFN

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

• jiaor17 / DiffCSP
  [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"
  ☆125Updated 5 months ago
• yuanqidu / LeftNet
  ☆59Updated 9 months ago
• parkjunkil / MOFFUSION
  Multi-modal conditioning diffusion model for MOFs generation
  ☆34Updated last month
• fengshikun / UniGEM
  ☆23Updated 5 months ago
• jiaor17 / DiffCSP-PP
  [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"
  ☆50Updated 3 months ago
• GenSI-THUAIR / MolFM
  Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
  ☆37Updated last year
• hanjq17 / EGHN
  [NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".
  ☆30Updated last year
• kdmsit / Awesome-Crystal-GNNs
  This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials
  ☆99Updated 3 months ago
• ccr-cheng / InfGCN-pytorch
  Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.
  ☆15Updated last year
• sadmanomee / OOD_Materials_Benchmark
  Structure-based out-of-distribution (OOD) material property prediction: a benchmark study
  ☆13Updated 4 months ago
• chenruduan / OAReactDiff
  An object-aware diffusion model for generating chemical reactions
  ☆138Updated last year
• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆25Updated 11 months ago
• facebookresearch / JMP
  Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
  ☆60Updated 10 months ago
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆124Updated last year
• RishikeshMagar / Crystal-Twins
  ☆19Updated 2 years ago
• zcao0420 / MOFormer
  Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction
  ☆54Updated 2 years ago
• YKQ98 / Matformer
  Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)
  ☆103Updated last year
• yuanqidu / M2Hub
  ☆46Updated 9 months ago
• EmperorJia / EquiCSP
  Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)
  ☆24Updated last year
• D4-course / EDM
  EDM: E(3) Equivariant Diffusion Model for Molecule Generation in 3D
  ☆26Updated 2 years ago
• c-tl / GeoMFormer
  ☆17Updated last year
• ZhixunLEE / Awesome-AI-for-Materials-Generation
  [arXiv 2025] Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey
  ☆31Updated 2 months ago
• WanyuGroup / AI-for-Crystal-Materials
  AI for crystal materials
  ☆81Updated this week
• shenoynikhil / ETFlow
  Source code for Equivariant Flow Matching for Molecular Conformer Generation
  ☆44Updated last month
• kdmsit / crysmmnet
  CrysMMNet: Multimodal Representation for Crystal Property Prediction (UAI-2023)
  ☆18Updated last year
• facebookresearch / flowmm
  Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…
  ☆155Updated 10 months ago
• liugangcode / Graph-DiT
  The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"
  ☆84Updated 3 months ago
• nayoung10 / MOFFlow
  Implementation for MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks
  ☆10Updated 3 weeks ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆96Updated 2 years ago
• GenSI-THUAIR / GeoBFN
  Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"
  ☆55Updated last year