kexinhuang12345 / CASTER
CASTER: Predicting Drug Interactions with Chemical Substructure Representation (AAAI 2020)
☆26Updated 4 years ago
Alternatives and similar repositories for CASTER:
Users that are interested in CASTER are comparing it to the libraries listed below
- ☆26Updated 3 years ago
- This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…☆42Updated 5 years ago
- InterpretableDTIP☆19Updated 6 years ago
- Multi-view Graph Contrastive Representation Learning for Drug-drug Interaction Prediction☆42Updated 3 years ago
- ☆18Updated 11 months ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆29Updated 2 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆61Updated 9 months ago
- ☆14Updated 3 years ago
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆37Updated 3 years ago
- Multi-modal co-attention for drug-target interaction annotation and Its Application to SARS-CoV-2☆16Updated last year
- Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation☆55Updated 5 years ago
- a novel DTA predition method using graph neural network☆73Updated last year
- ☆46Updated 5 months ago
- Repo of pharmacophoric constrained heterogeneous-graph-transformer☆15Updated last year
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆41Updated last year
- Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".☆45Updated 2 years ago
- 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
- DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)☆26Updated 4 years ago
- ☆13Updated 2 years ago
- ☆24Updated last year
- Code of our IJCAI2021 paper: "Learning Attributed Graph Representation with Communicative Message Passing Transformer"☆39Updated 2 years ago
- MoleculeNet benchmark dataset & MolMapNet dataset☆62Updated 2 years ago
- Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"☆46Updated 2 years ago
- ☆57Updated 3 years ago
- ☆63Updated 3 years ago
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆51Updated last year
- An end-to-end heterogeneous graph representation learning-based framework for drug-target interaction prediction☆28Updated 2 years ago
- ☆21Updated 2 years ago
- a method for CPI and DTA prediction☆9Updated 2 years ago