Shen-Lab / DeepAffinityLinks
Protein-compound affinity prediction through unified RNN-CNN
☆149Updated 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☆76Updated 2 years ago
- source code for https://arxiv.org/abs/2005.11248 "Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molec…☆106Updated last month
- MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Pro…☆104Updated 5 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
- MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)☆216Updated 3 years ago
- ☆130Updated 3 years ago
- machine learning, molecular descriptor☆118Updated 2 years ago
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆125Updated last year
- Source code for "DeepDTA: deep drug-target binding affinity prediction"☆280Updated 2 years ago
- MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning☆143Updated this week
- A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.☆106Updated 4 years ago
- open source repository☆143Updated last year
- Generative Models for Graph-Based Protein Design☆280Updated 4 years ago
- TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label…☆151Updated 3 years ago
- Protein Interface Prediction using Graph Convolutional Networks☆93Updated 5 years ago
- ☆133Updated 4 months ago
- a deep learning architecture for protein-ligand binding affinity prediction☆76Updated last year
- Open source code for TankBind. Galixir Tenchnologies☆168Updated 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
- LM-GVP: A Generalizable Deep Learning Framework for Protein Property Prediction from Sequence and Structure☆64Updated last year
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆166Updated 2 years ago
- ☆228Updated 2 years ago
- Speed virtual screening by 50X☆96Updated 2 years ago
- Fusion models for Atomic and molecular STructures (FAST)☆92Updated 2 years ago
- ☆51Updated 4 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…☆106Updated 2 years ago
- EquiDock: geometric deep learning for fast rigid 3D protein-protein docking☆250Updated 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
- Protein Secondary Structure predictor using Convolutional Neural Networks☆113Updated 2 years ago
- Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Co…☆186Updated 3 years ago