Shen-Lab / DeepAffinityLinks
Protein-compound affinity prediction through unified RNN-CNN
☆147Updated last year
Alternatives and similar repositories for DeepAffinity
Users that are interested in DeepAffinity are comparing it to the libraries listed below
Sorting:
- a novel DTA predition method using graph neural network☆74Updated 2 years ago
- source code for https://arxiv.org/abs/2005.11248 "Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molec…☆105Updated 2 years ago
- machine learning, molecular descriptor☆117Updated 2 years ago
- MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)☆212Updated 3 years ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆166Updated 2 years ago
- MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Pro…☆104Updated 4 years ago
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆122Updated last year
- DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images☆113Updated last year
- open source repository☆139Updated last year
- A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.☆103Updated 4 years ago
- A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…☆186Updated 2 years ago
- Source code for "DeepDTA: deep drug-target binding affinity prediction"☆266Updated 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
- MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning☆142Updated 4 months ago
- ☆130Updated 2 years ago
- Generative Models for Graph-Based Protein Design☆280Updated 4 years ago
- AbLang: A language model for antibodies☆146Updated last year
- Deep residual neural network for protein contact/distance prediction developed by Xu group☆79Updated 4 years ago
- TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label…☆146Updated 3 years ago
- Fusion models for Atomic and molecular STructures (FAST)☆92Updated 2 years ago
- This is the repository for PIPR. This repository contains the source code and links to some datasets used in the ISMB/ECCB-2019 paper "Mu…☆104Updated 2 years ago
- ☆130Updated 2 months ago
- trRosetta for protein design☆182Updated 4 years ago
- Protein Interface Prediction using Graph Convolutional Networks☆93Updated 4 years ago
- Speed virtual screening by 50X☆94Updated 2 years ago
- A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction☆81Updated 4 years ago
- ☆128Updated 2 years ago
- Help file for running the scripts to learn and evaluate graph convolution networks for epitope and paratope prediction☆34Updated 5 years ago
- a deep learning architecture for protein-ligand binding affinity prediction☆76Updated last year
- 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