Alternatives and similar repositories for mhnn

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

• idrugLab / hignn
  Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
  ☆51Updated 2 years ago
• XieResearchGroup / Physics-aware-Multiplex-GNN
  Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular syste…
  ☆72Updated 11 months ago
• KemperNiklas / FragNet
  Official Implementation of Expressivity and Generalization: Fragment-Biases for Molecular GNNs
  ☆19Updated 11 months ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆69Updated 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
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆37Updated last year
• fork123aniket / Molecule-Graph-Generation
  Molecule Graph Generation using Graph Convolutional Networks-based Variational Graph AutoEncoders (VGAE) in PyTorch
  ☆24Updated 11 months ago
• daenuprobst / molsetrep
  Molecular Set Representation Learning
  ☆49Updated 2 months ago
• Augus1999 / bayesian-flow-network-for-chemistry
  ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks. Developed in Hiroshima University.
  ☆26Updated last week
• Vencent-Won / SGGRL
  The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".
  ☆45Updated 9 months ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆48Updated 2 years ago
• chao1224 / MoleculeSDE
  A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
  ☆33Updated last year
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆125Updated last year
• DirectMolecularConfGen / DMCG
  ☆60Updated 2 years ago
• shamim-hussain / tgt
  Triplet Graph Transformer
  ☆46Updated 3 weeks ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆97Updated 2 years ago
• conghaowang / GLDM
  ☆19Updated 9 months ago
• juexinwang / NRI-MD
  Neural relational inference for molecular dynamics simulations
  ☆58Updated 2 years ago
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆71Updated last year
• fengshikun / FradNMI
  ☆24Updated 8 months ago
• pnnl / FragNet
  A Graph Neural Network for molecular property prediction with four levels of Interpretability.
  ☆24Updated last month
• uta-smile / RetroXpert
  ☆64Updated 4 years ago
• smiles724 / Molformer
  ☆95Updated 3 months ago
• jiaor17 / 3D-EMGP
  [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
  ☆33Updated last year
• danielflamshep / xyztransformer
  coming soon
  ☆28Updated 2 years ago
• futianfan / DST
  (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)
  ☆31Updated 2 years ago
• pengxingang / MolDiff
  MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
  ☆72Updated last year
• coleygroup / polymer-chemprop
  Message Passing Neural Networks for Molecule Property Prediction
  ☆47Updated 2 years ago
• HongxinXiang / ImageMol
  ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.
  ☆54Updated 7 months ago
• ZangXuan / HiMol
  ☆27Updated 2 years ago