Alternatives and similar repositories for CrysBFN

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

• yuanqidu / LeftNet
  ☆56Updated 6 months ago
• jiaor17 / DiffCSP
  [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"
  ☆119Updated 2 months ago
• jiaor17 / DiffCSP-PP
  [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"
  ☆43Updated 2 weeks ago
• EmperorJia / EquiCSP
  Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)
  ☆21Updated 10 months ago
• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆22Updated 8 months ago
• RishikeshMagar / Crystal-Twins
  ☆19Updated last year
• hanjq17 / EGHN
  [NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".
  ☆30Updated last year
• facebookresearch / JMP
  Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
  ☆57Updated 8 months ago
• AlgoMole / MolFM
  Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
  ☆36Updated last year
• D4-course / EDM
  EDM: E(3) Equivariant Diffusion Model for Molecule Generation in 3D
  ☆24Updated 2 years ago
• yuanqidu / M2Hub
  ☆46Updated 6 months ago
• YKQ98 / Matformer
  Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)
  ☆97Updated last year
• kdmsit / Awesome-Crystal-GNNs
  This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials
  ☆96Updated 3 weeks ago
• WanyuGroup / AI-for-Crystal-Materials
  AI for crystal materials
  ☆58Updated this week
• c-tl / GeoMFormer
  ☆16Updated last year
• chenruduan / OAReactDiff
  An object-aware diffusion model for generating chemical reactions
  ☆130Updated last year
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆120Updated last year
• kdmsit / crysmmnet
  CrysMMNet: Multimodal Representation for Crystal Property Prediction (UAI-2023)
  ☆17Updated 11 months ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆90Updated 2 years ago
• ccr-cheng / InfGCN-pytorch
  Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.
  ☆15Updated last year
• AlgoMole / GeoBFN
  Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"
  ☆53Updated last year
• parkjunkil / MOFFUSION
  Multi-modal conditioning diffusion model for MOFs generation
  ☆30Updated 4 months ago
• cuitaoyong / GPIP
  ☆17Updated 10 months ago
• trachote / dp-cdvae
  Diffusion Probabilistic CDVAE
  ☆23Updated last year
• Zun-Wang / QuinNet
  (NeurIPS 2023) QuinNet: Efficiently Incorporating Quintuple Interactions into Geometric Deep Learning Force Fields
  ☆10Updated 10 months ago
• arthurkosmala / EwaldMP
  Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)
  ☆49Updated 2 years ago
• zcao0420 / MOFormer
  Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction
  ☆52Updated last year
• kyonofx / scdp
  [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"
  ☆35Updated 6 months ago
• DeepSorption / DeepSorption1.0
  ☆12Updated last year
• fengshikun / UniGEM
  ☆15Updated 2 months ago