jaechanglim / GNN_DTILinks
☆67Updated 5 years ago
Alternatives and similar repositories for GNN_DTI
Users that are interested in GNN_DTI are comparing it to the libraries listed below
Sorting:
- graph generative model for molecule☆39Updated 5 years ago
- a novel DTA predition method using graph neural network☆76Updated 2 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆35Updated 3 years ago
- ☆60Updated 3 years ago
- ☆33Updated 3 years ago
- ☆47Updated 2 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆53Updated 5 years ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- The implementation of Modof for Molecule Optimization☆30Updated 2 years ago
- MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Pro…☆104Updated 5 years ago
- ☆64Updated 4 years ago
- Contains results and data from Augmented Transformer article☆39Updated 5 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆65Updated last year
- ☆133Updated 3 years ago
- ☆37Updated 4 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- ☆85Updated 7 years ago
- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)☆55Updated 3 years ago
- A SMILES-based encoder-decoder architecture for molecular scaffold decoration☆83Updated 5 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 4 years ago
- ☆77Updated 2 years ago
- A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction☆81Updated 5 years ago
- pre-training BERT with molecular data☆49Updated 4 years ago
- ☆69Updated 3 years ago
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆57Updated 2 years ago
- Recurrent Neural Network using randomized SMILES strings to generate molecules☆93Updated 5 years ago
- Mol-CycleGAN - a generative model for molecular optimization☆78Updated 6 years ago
- ☆76Updated 3 years ago
- MolRep: A Deep Representation Learning Library for Molecular Property Prediction☆129Updated last year