Shen-Lab / DeepAffinityLinks
Protein-compound affinity prediction through unified RNN-CNN
☆147Updated 10 months ago
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 last year
- ☆130Updated 2 years ago
- This is a code for compound-protein interaction (CPI) prediction based on a graph neural network (GNN) for compounds and a convolutional …☆162Updated 4 years ago
- open source repository☆137Updated last year
- machine learning, molecular descriptor☆113Updated 2 years ago
- source code for https://arxiv.org/abs/2005.11248 "Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molec…☆101Updated 2 years ago
- Generative Models for Graph-Based Protein Design☆277Updated 4 years ago
- ☆126Updated last year
- DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images☆113Updated 10 months ago
- MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Pro…☆102Updated 4 years ago
- MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)☆209Updated 2 years ago
- Speed virtual screening by 50X☆94Updated 2 years ago
- a deep learning architecture for protein-ligand binding affinity prediction☆74Updated last year
- Variational autoencoder for protein sequences - add metal binding sites and generate sequences for novel topologies☆87Updated last year
- Protein Interface Prediction using Graph Convolutional Networks☆93Updated 4 years ago
- trRosetta for protein design☆179Updated 4 years ago
- A collection of tasks to probe the effectiveness of protein sequence representations in modeling aspects of protein design☆100Updated 8 months 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…☆99Updated 2 years ago
- Protein hallucination and inpainting with RoseTTAFold☆259Updated 2 years ago
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆121Updated 10 months ago
- GraphSite: protein-DNA binding site prediction using graph transformer and predicted protein structures☆59Updated 10 months ago
- TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label…☆144Updated 2 years ago
- EquiDock: geometric deep learning for fast rigid 3D protein-protein docking☆240Updated last year
- Multi-task and masked language model-based protein sequence embedding models.☆102Updated 3 years ago
- Code for "Protein Docking Model Evaluation by Graph Neural Networks"☆59Updated 2 years ago
- A PyTorch implementation of GCN with mutual attention for protein-protein interaction prediction☆61Updated 3 years ago
- Generative Language Modeling for Antibody Design☆149Updated 7 months ago
- MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning☆140Updated last month
- 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
- ☆209Updated 2 years ago