Alternatives and similar repositories for HEGNN

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

• c-tl / GeoMFormer
  ☆17Updated last year
• yuanqidu / LeftNet
  ☆60Updated last year
• GLAD-RUC / FastEGNN
  Source code of "Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes Learning"
  ☆28Updated 5 months ago
• GLAD-RUC / GGNN4Science
  ☆137Updated 5 months ago
• SXKDZ / MARCEL
  [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles
  ☆44Updated 2 years ago
• facebookresearch / JMP
  Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
  ☆61Updated last year
• liugangcode / Graph-DiT
  The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"
  ☆97Updated 6 months ago
• FanmengWang / MMPolymer
  [CIKM2024] The official implementation of "MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction"
  ☆39Updated 3 months ago
• gracezhao1997 / EEGSDE
  This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)
  ☆48Updated 2 years ago
• MinkaiXu / AliDiff
  NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
  ☆40Updated 8 months ago
• shamim-hussain / tgt
  Triplet Graph Transformer
  ☆49Updated 2 months ago
• wu-han-lin / CrysBFN
  ☆20Updated 5 months ago
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆129Updated last year
• fengshikun / UniGEM
  ☆24Updated 8 months ago
• ccr-cheng / InfGCN-pytorch
  Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.
  ☆16Updated 2 years ago
• AzureLeon1 / awesome-molecular-diffusion-models
  A curated list of papers related to molecular diffusion models.
  ☆70Updated 5 months ago
• qiangbo1222 / HierDiff
  Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D
  ☆50Updated 2 years ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆98Updated 2 years ago
• GenSI-THUAIR / GeoBFN
  Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"
  ☆59Updated last year
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆47Updated 2 years ago
• jiaor17 / 3D-EMGP
  [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
  ☆33Updated last year
• 545487677 / MolReasoner
  This is the official code for MolReasoner: Toward Effective and Interpretable Reasoning for Molecular LLMs
  ☆43Updated 3 months ago
• YKQ98 / Matformer
  Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)
  ☆109Updated last year
• hanjq17 / EGHN
  [NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".
  ☆31Updated 2 years ago
• GenSI-THUAIR / MolCRAFT
  Official repository for MolCRAFT series
  ☆134Updated last month
• AlexDuvalinho / geometric-gnns
  List of Geometric GNNs for 3D atomic systems
  ☆119Updated last year
• GenSI-THUAIR / MolFM
  Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
  ☆39Updated last year
• Zun-Wang / QuinNet
  (NeurIPS 2023) QuinNet: Efficiently Incorporating Quintuple Interactions into Geometric Deep Learning Force Fields
  ☆10Updated last year
• yuewan2 / Retroformer
  ☆49Updated 3 years ago
• rxn4chemistry / multimodal-spectroscopic-dataset
  Code for generation and benchmarks of the Multimodal Spectroscopic Dataset
  ☆51Updated 5 months ago