simonfqy / PADMELinks
This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep learning.
☆44Updated 6 years ago
Alternatives and similar repositories for PADME
Users that are interested in PADME are comparing it to the libraries listed below
Sorting:
- a novel DTA predition method using graph neural network☆76Updated 2 years ago
- ☆67Updated 5 years ago
- Algorithms for prediction of drug-target interactions via computational (chemogenomic) methods☆47Updated 6 years ago
- NeoDTI: Neural integration of neighbor information from a heterogeneous network for discovering new drug-target interactions☆77Updated 4 years ago
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆125Updated last year
- Protein-compound affinity prediction through unified RNN-CNN☆149Updated last year
- 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
- DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences☆78Updated 3 years ago
- InterpretableDTIP☆20Updated 7 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- This repository provides an implementation of the DTiGEMSplus tool, a network-based method for computational Drug-Target Interaction pred…☆27Updated 4 years ago
- Deep Generative Models for Drug Combination (Graph Set) Generation given Hierarchical Disease Network Embedding☆31Updated 2 years ago
- Deep learning-based drug-target interaction prediction / Deep belief net (DBN) based on Theano☆49Updated 6 years ago
- An official Molecule Transformer Drug Target Interaction (MT-DTI) model☆34Updated 4 years ago
- ☆47Updated 2 years ago
- An up-to-date list of papers and code relating to progress in the burgeoning field of AI-Drug Discovery☆43Updated 6 years ago
- HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repositor…☆44Updated 4 years ago
- Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation☆54Updated 6 years ago
- ☆58Updated 4 years ago
- a method for CPI and DTA prediction☆11Updated 3 years ago
- ☆10Updated 2 years ago
- DeepCDA☆15Updated 5 years ago
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆56Updated 2 years ago
- MoleculeNet benchmark dataset & MolMapNet dataset☆63Updated 3 years ago
- ☆12Updated 4 years ago
- ☆17Updated 5 years ago
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆39Updated 3 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
- Protein Interface Prediction using Graph Convolutional Networks☆93Updated 5 years ago