Zhaoyang-Chu / HGRL-DTA
This repository contains a PyTorch implementation of the paper "Hierarchical Graph Representation Learning for the Prediction of Drug-Target Binding Affinity".
☆12Updated 2 years ago
Alternatives and similar repositories for HGRL-DTA:
Users that are interested in HGRL-DTA are comparing it to the libraries listed below
- ☆18Updated last year
- Learning to Group Auxiliary Datasets for Molecule, NeurIPS2023☆19Updated last year
- ☆28Updated 3 years ago
- The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…☆17Updated last year
- Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…☆25Updated 2 months ago
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆41Updated last year
- ☆50Updated 7 months ago
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 2 years ago
- ☆14Updated 3 years ago
- Multi-modal co-attention for drug-target interaction annotation and Its Application to SARS-CoV-2☆17Updated 2 years ago
- Code and Data for the paper: Graph Sampling-based Meta-Learning for Molecular Property Prediction [IJCAI2023]☆19Updated last year
- ☆14Updated last week
- a method for CPI and DTA prediction☆10Updated 2 years ago
- ☆36Updated 10 months ago
- PyTorch implementation of "TGSA: Protein-Protein Association-Based Twin Graph Neural Networks for Drug Response Prediction with Similarit…☆24Updated 3 years ago
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆50Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆64Updated last year
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆47Updated last year
- The code for SAG-DTA: Prediction of Drug–Target Affinity Using Self-Attention Graph Network.☆11Updated 3 years ago
- [BIB 2023] Official implementation of "R2-DDI: Relation-aware Feature Refinement for Drug-drug Interaction Prediction".☆13Updated last year
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆34Updated 7 months ago
- Geometry Deep Learning for Drug Discovery and Life Science☆67Updated 11 months ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆46Updated last year
- ☆24Updated last year
- ☆9Updated 3 years ago
- the codes for paper "IIFDTI: predicting drug target interaction through interactive and independent features based on attention mechanism…☆11Updated 3 years ago
- ☆23Updated 3 years ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆100Updated 10 months ago
- This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representati…☆43Updated last year
- Repo of pharmacophoric constrained heterogeneous-graph-transformer☆17Updated 2 years ago