Shen-Lab / DeepAffinity
Protein-compound affinity prediction through unified RNN-CNN
☆136Updated 2 months ago
Related projects: ⓘ
- a novel DTA predition method using graph neural network☆70Updated last year
- MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)☆175Updated 2 years ago
- machine learning, molecular descriptor☆109Updated last year
- ☆127Updated 2 years ago
- Generative Models for Graph-Based Protein Design☆250Updated 3 years ago
- source code for https://arxiv.org/abs/2005.11248 "Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molec…☆98Updated last year
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆154Updated last year
- ☆112Updated last year
- Deep residual neural network for protein contact/distance prediction developed by Xu group☆77Updated 4 years ago
- A PyTorch implementation of GCN with mutual attention for protein-protein interaction prediction☆56Updated 3 years ago
- Protein Interface Prediction using Graph Convolutional Networks☆91Updated 3 years ago
- open source repository☆123Updated 9 months ago
- This is a code for compound-protein interaction (CPI) prediction based on a graph neural network (GNN) for compounds and a convolutional …☆159Updated 3 years ago
- ☆126Updated 3 years ago
- A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…☆185Updated last year
- AbLang: A language model for antibodies☆118Updated 11 months ago
- Graph Network for protein-protein interface☆117Updated 5 months 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…☆156Updated 2 years ago
- A collection of tasks to probe the effectiveness of protein sequence representations in modeling aspects of protein design☆91Updated last year
- Variational autoencoder for protein sequences - add metal binding sites and generate sequences for novel topologies☆80Updated last year
- Speed virtual screening by 50X☆87Updated last year
- a deep learning architecture for protein-ligand binding affinity prediction☆62Updated 7 months ago
- trRosetta for protein design☆171Updated 3 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…☆84Updated last year
- Pytorch/Python3 implementation of DeepAccNet, protein model accuracy evaluator.☆77Updated 3 years ago
- MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Pro…☆100Updated 3 years ago
- ☆191Updated last year
- ☆103Updated 2 years ago
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆101Updated last month
- DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images☆108Updated last month