Alternatives and similar repositories for HyperFusion

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

• SXKDZ / MARCEL
  [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles
  ☆42Updated last year
• shamim-hussain / tgt
  Triplet Graph Transformer
  ☆42Updated 11 months ago
• schwallergroup / mhnn
  Molecular Hypergraph Neural Network
  ☆37Updated 10 months ago
• chao1224 / MoleculeSDE
  A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
  ☆31Updated last year
• GRAPH-0 / CDGS
  Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation
  ☆32Updated last year
• graphcore / ogb-lsc-pcqm4mv2
  The OGB-LSC is the Large Scale Competition by Open Graph Benchmark to help accelerate research into machine learning on graph structured …
  ☆77Updated 10 months ago
• cvignac / MiDi
  MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation
  ☆102Updated 8 months ago
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆119Updated last year
• ZhaoningYu1996 / HM-GNN
  Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"
  ☆37Updated 2 years ago
• AzureLeon1 / awesome-molecular-diffusion-models
  A curated list of papers related to molecular diffusion models.
  ☆36Updated 2 weeks ago
• andreeadeac22 / graph_coattention
  Work on designing a graph co-attention algorithm.
  ☆18Updated last year
• LUOyk1999 / HDSE
  [NeurIPS 2024] Implementation of "Enhancing Graph Transformers with Hierarchical Distance Structural Encoding"
  ☆15Updated 2 weeks ago
• junxia97 / Mole-BERT
  [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"
  ☆118Updated last year
• BenGutteridge / DRew
  ☆31Updated last year
• jiaor17 / 3D-EMGP
  [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
  ☆34Updated 8 months ago
• Vencent-Won / SGGRL
  The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".
  ☆42Updated 5 months ago
• Rich-XGK / GTMGC
  Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).
  ☆17Updated last year
• liugangcode / Graph-DiT
  The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"
  ☆70Updated this week
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆114Updated 5 months ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆91Updated 2 years ago
• smiles724 / Molformer
  ☆95Updated 2 years ago
• microsoft / DVMP
  The official implementation of dual-view molecule pre-training.
  ☆41Updated 3 years ago
• syr-cn / SimSGT
  [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"
  ☆36Updated last year
• jcchan23 / CoMPT
  Code of our IJCAI2021 paper: "Learning Attributed Graph Representation with Communicative Message Passing Transformer"
  ☆40Updated 3 years ago
• UnHans / HimGNN
  The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…
  ☆20Updated last year
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆45Updated last year
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆66Updated last year
• qiangbo1222 / HierDiff
  Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D
  ☆46Updated last year
• GraphPKU / PygHO
  A library for subgraph GNN based on pyg
  ☆41Updated 6 months ago
• AlexDuvalinho / geometric-gnns
  List of Geometric GNNs for 3D atomic systems
  ☆106Updated last year