Alternatives and similar repositories for HMGNN:

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

• illidanlab / MoCL-DK
  Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge
  ☆41Updated last year
• SXKDZ / MARCEL
  [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles
  ☆40Updated last year
• liugangcode / GREA
  [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"
  ☆37Updated 8 months ago
• DavideBuffelli / SAME
  Code for the papers: "Graph Representation Learning for Multi-Task Settings: a Meta-Learning Approach", "A Meta-Learning Approach for Gra…
  ☆18Updated 2 years ago
• DeepGraphLearning / GraphAF
  ☆53Updated 3 years ago
• kamikaze0923 / jtvae
  Junctional Tree Variational Auto-encoder
  ☆20Updated 5 years ago
• zaixizhang / MGSSL
  Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"
  ☆116Updated last year
• HaoZhongkai / AS_Molecule
  Active learning
  ☆27Updated 4 years ago
• jiachengxiong / Literature
  Recent application of graph neural network in drug discovery
  ☆10Updated 4 years ago
• ZhaoningYu1996 / HM-GNN
  Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"
  ☆33Updated 2 years ago
• zetayue / MXMNet
  Source code for "Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures"
  ☆71Updated last year
• rusty1s / himp-gnn
  Hierarchical Inter-Message Passing for Learning on Molecular Graphs
  ☆77Updated 3 years ago
• akirasosa / pytorch-dimenet
  ☆25Updated 2 years ago
• georgelamb19 / chempropBayes
  Bayesian MPNNs for Molecular Property Prediction
  ☆27Updated 4 years ago
• Frank-LIU-520 / DeepMoleNet
  Deep learning for molecules quantum chemistry properties prediction
  ☆38Updated 3 years ago
• chao1224 / MoleculeSDE
  A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
  ☆32Updated 10 months ago
• Chen-Cai-OSU / MPNN-GT-Connection
  ☆19Updated last year
• chenxiaowei-vincent / XGraphBoost
  ☆58Updated 3 years ago
• uta-smile / RetroXpert
  ☆63Updated 3 years ago
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆45Updated last year
• MinkaiXu / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆45Updated 3 years ago
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 3 years ago
• TencentYoutuResearch / HIG-GraphClassification
  Code of Heterogeneous interpolation on graph, which is a solution for OGB challenge
  ☆17Updated 3 years ago
• biomed-AI / MolRep
  MolRep: A Deep Representation Learning Library for Molecular Property Prediction
  ☆127Updated 5 months ago
• tata1661 / PAR-NeurIPS21
  Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".
  ☆45Updated 2 years ago
• andreeadeac22 / graph_coattention
  Work on designing a graph co-attention algorithm.
  ☆18Updated last year
• lenscloth / GRPE
  Official Implementation of "GRPE: Relative Positional Encoding for Graph Transformer"
  ☆55Updated 2 years ago
• seokhokang / mol_mpnn
  Efficient Learning of Message Passing Neural Networks for Molecular Property Production
  ☆18Updated 4 years ago
• thu-wangz17 / HermNet
  Heterogeneous relational message passing networks (HermNet)
  ☆15Updated 2 years ago
• UnHans / HimGNN
  The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…
  ☆17Updated last year