uta-smile / CD-MVGNN
☆14Updated 3 years ago
Alternatives and similar repositories for CD-MVGNN:
Users that are interested in CD-MVGNN are comparing it to the libraries listed below
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 2 years ago
- ☆46Updated 5 months ago
- Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"☆33Updated 2 years ago
- InterpretableDTIP☆19Updated 6 years ago
- ☆18Updated last year
- ☆25Updated 3 years ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆29Updated 2 years ago
- Molecule Optimization via Fragment-based Generative Models☆41Updated last year
- This repository contains a PyTorch implementation of the paper "Hierarchical Graph Representation Learning for the Prediction of Drug-Tar…☆12Updated 2 years ago
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆37Updated 3 years ago
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆19Updated 2 years ago
- source for paper DGNN-DDI☆10Updated last year
- Materials for KDD2023 tutorial: Knowledge-augmented Graph Machine Learning for Drug Discovery: from Precision to Interpretability☆21Updated last year
- Recent application of graph neural network in drug discovery☆10Updated 4 years ago
- The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…☆17Updated last year
- Junctional Tree Variational Auto-encoder☆20Updated 5 years ago
- A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry☆31Updated 3 years ago
- ☆24Updated 11 months ago
- Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…☆26Updated last week
- Repo of pharmacophoric constrained heterogeneous-graph-transformer☆16Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆62Updated 10 months ago
- Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"☆46Updated 2 years ago
- ☆24Updated 2 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆34Updated 5 months ago
- CASTER: Predicting Drug Interactions with Chemical Substructure Representation (AAAI 2020)☆26Updated 4 years ago
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆11Updated last week
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- a method for CPI and DTA prediction☆9Updated 2 years ago
- ☆20Updated last year
- BridgeDPI: A Novel Graph Neural Network for Predicting Drug-Protein Interactions☆19Updated last month