clinfo / kGCNLinks
A graph-based deep learning framework for life science
☆122Updated 2 years ago
Alternatives and similar repositories for kGCN
Users that are interested in kGCN are comparing it to the libraries listed below
Sorting:
- Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation☆54Updated 6 years ago
- Graph neural network (GNN) for molecular property prediction (3D structure)☆101Updated 4 years ago
- Interpreting graph convolutional filters of target prediction network☆48Updated 6 years ago
- ☆97Updated 5 years ago
- Moleculenet.ai Datasets And Splits☆104Updated 4 years ago
- This is a code for compound-protein interaction (CPI) prediction based on a graph neural network (GNN) for compounds and a convolutional …☆165Updated 4 years ago
- machine learning, molecular descriptor☆118Updated 2 years ago
- ☆170Updated 3 years ago
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆55Updated 2 years ago
- NeoDTI: Neural integration of neighbor information from a heterogeneous network for discovering new drug-target interactions☆77Updated 4 years ago
- MoleculeNet benchmark dataset & MolMapNet dataset☆63Updated 3 years ago
- ☆59Updated 6 years ago
- Literature of deep learning for graphs in Chemistry and Biology☆201Updated 4 years ago
- a novel DTA predition method using graph neural network☆74Updated 2 years ago
- ☆49Updated 8 years ago
- This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…☆43Updated 6 years ago
- ☆142Updated 4 years ago
- ☆63Updated 6 years ago
- Official Implementation for "Seq2seq Fingerprint: An Unsupervised Deep Molecular Embedding for Drug Discovery".☆39Updated 7 years ago
- A deep learning model for small molecule drug discovery and cheminformatics based on SMILES☆170Updated 2 years ago
- Hierarchical Inter-Message Passing for Learning on Molecular Graphs☆80Updated 3 years ago
- SkipGNN: Predicting Molecular Interactions with Skip-Graph Networks (Scientific Reports)☆64Updated 5 years ago
- ☆61Updated 6 years ago
- Mol-CycleGAN - a generative model for molecular optimization☆78Updated 6 years ago
- Quantum deep field for molecule☆224Updated 4 years ago
- MolRep: A Deep Representation Learning Library for Molecular Property Prediction☆128Updated last year
- DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)☆26Updated 4 years ago
- Collection of data sets of molecules for a validation of properties inference☆109Updated 7 years ago
- Protein Interface Prediction using Graph Convolutional Networks☆93Updated 5 years ago
- Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)☆156Updated 6 years ago