Zhaoyang-Chu / HGRL-DTALinks
This repository contains a PyTorch implementation of the paper "Hierarchical Graph Representation Learning for the Prediction of Drug-Target Binding Affinity".
☆12Updated 3 years ago
Alternatives and similar repositories for HGRL-DTA
Users that are interested in HGRL-DTA are comparing it to the libraries listed below
Sorting:
- Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"☆37Updated 2 years ago
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆116Updated last year
- ☆21Updated last year
- ☆58Updated last year
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 3 years ago
- Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…☆28Updated 9 months ago
- The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…☆22Updated 2 years ago
- Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"☆126Updated 2 years ago
- This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representati…☆45Updated last year
- ☆14Updated 3 years ago
- ☆30Updated 4 years ago
- ☆40Updated last year
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆41Updated 2 years ago
- Multi-modal co-attention for drug-target interaction annotation and Its Application to SARS-CoV-2☆17Updated 2 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆70Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- ☆47Updated 2 years ago
- ☆26Updated last year
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 3 years ago
- ☆12Updated last year
- BridgeDPI: A Novel Graph Neural Network for Predicting Drug-Protein Interactions☆20Updated 10 months ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆55Updated last year
- Geometry Deep Learning for Drug Discovery and Life Science☆71Updated last year
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆48Updated 2 years ago
- the codes for paper "IIFDTI: predicting drug target interaction through interactive and independent features based on attention mechanism…☆11Updated 3 years ago
- The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".☆49Updated 10 months ago
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆53Updated 2 years ago
- Code and Data for the paper: Graph Sampling-based Meta-Learning for Molecular Property Prediction [IJCAI2023]☆19Updated 2 years ago
- ☆14Updated 3 years ago