kexinhuang12345 / MolTransLinks
MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)
☆216Updated 3 years ago
Alternatives and similar repositories for MolTrans
Users that are interested in MolTrans are comparing it to the libraries listed below
Sorting:
- GraphDTA: Predicting drug-target binding affinity with graph neural networks☆279Updated 4 years ago
- Source code for "DeepDTA: deep drug-target binding affinity prediction"☆280Updated 2 years ago
- TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label…☆151Updated 3 years ago
- a novel DTA predition method using graph neural network☆76Updated 2 years ago
- Protein-compound affinity prediction through unified RNN-CNN☆149Updated last year
- Interpretable bilinear attention network with domain adaptation improves drug-target prediction.☆131Updated 2 years ago
- A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…☆188Updated 2 years ago
- Generative Models for Graph-Based Protein Design☆280Updated 4 years ago
- EquiDock: geometric deep learning for fast rigid 3D protein-protein docking☆250Updated 2 years ago
- Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda e…☆345Updated 2 years ago
- ☆186Updated 2 years ago
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆116Updated last year
- Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.☆299Updated last year
- SMILES Pair Encoding: A data-driven substructure representation of chemicals☆212Updated 2 years ago
- Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)☆200Updated 3 years ago
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆307Updated 2 years ago
- ☆228Updated 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
- ☆56Updated last year
- Deep generative models of 3D grids for structure-based drug discovery☆233Updated 2 years ago
- HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repositor…☆44Updated 4 years ago
- Graph Network for protein-protein interface☆120Updated last year
- ☆130Updated 3 years ago
- Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.☆169Updated 2 years ago
- Open source code for TankBind. Galixir Tenchnologies☆168Updated last year
- DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences☆78Updated 3 years ago
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆125Updated last year
- 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
- MolRep: A Deep Representation Learning Library for Molecular Property Prediction☆129Updated last year
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆349Updated last year