ZhaoningYu1996 / HM-GNNLinks
Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"
☆37Updated 2 years ago
Alternatives and similar repositories for HM-GNN
Users that are interested in HM-GNN are comparing it to the libraries listed below
Sorting:
- Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"☆125Updated 2 years ago
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆116Updated last year
- ☆14Updated 3 years ago
- The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…☆21Updated 2 years ago
- ☆64Updated 4 years ago
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆38Updated 3 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- ☆47Updated last year
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆41Updated 2 years ago
- ☆76Updated 2 years ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 3 years ago
- MolRep: A Deep Representation Learning Library for Molecular Property Prediction☆128Updated last year
- Recent application of graph neural network in drug discovery☆10Updated 5 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- Junctional Tree Variational Auto-encoder☆26Updated 5 years ago
- ☆22Updated 2 years ago
- ☆58Updated 4 years ago
- Molecular Hypergraph Neural Network☆38Updated 3 months ago
- This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.☆42Updated last year
- ☆55Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year
- ☆60Updated 2 years ago
- ☆67Updated 5 years ago
- Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"☆51Updated 2 years ago
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 3 years ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆48Updated 2 years ago
- Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".☆50Updated 3 years ago
- ☆95Updated 3 months ago
- A Flow-based Variational Autoencoder for Molecule Generation☆10Updated 3 years ago