ahmetrifaioglu / DEEPScreenLinks
Drug-Target Interaction Prediction Using Convolutional Neural Networks By Images of Compounds
☆10Updated 5 years ago
Alternatives and similar repositories for DEEPScreen
Users that are interested in DEEPScreen are comparing it to the libraries listed below
Sorting:
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆28Updated 4 years ago
- Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning☆21Updated 4 years ago
- Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design☆14Updated 4 years ago
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆28Updated 3 years ago
- PKSmart: Predicting PK properties using Chemical Structures☆18Updated 2 months ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 2 years ago
- Derivation of structural alerts from bioactivity data sets☆30Updated 9 years ago
- Generative RNN for molecule de novo design☆20Updated 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
- Coloring molecules with explainable artificial intelligence☆16Updated 4 years ago
- Graph Neural Networks for Drug Efficacy Prediction☆11Updated 3 years ago
- ☆21Updated 3 years ago
- Deep Generative Models for Drug Combination (Graph Set) Generation given Hierarchical Disease Network Embedding☆30Updated 2 years ago
- HamidHadipour / Deep-clustering-of-small-molecules-at-large-scale-via-variational-autoencoder-embedding-and-K-means☆17Updated last year
- ☆10Updated 4 years ago
- Generative models of chemical data for PaccMann^RL☆14Updated 2 years ago
- Compressed Graph Representation for Scalable Molecular Graph Generation☆11Updated 5 years ago
- ☆12Updated last year
- Spatiotemporal identification of druggable binding sites using deep learning☆22Updated 4 years ago
- Mol2vec notebooks for use with Binder service☆29Updated 7 years ago
- ☆11Updated 2 years ago
- A Python wrapper for alvaDesc software☆10Updated last year
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆23Updated 2 years ago
- Prediction of compound synthesis accessibility bashed on reaction knowledge graph☆18Updated 3 years ago
- Large-scale comparison of machine learning methods for drug target prediction on ChEMBL☆35Updated 5 years ago
- Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking☆13Updated 4 years ago
- https://grasp.ufv.br/☆15Updated 2 years ago
- Benchmark interpretation of QSAR models☆15Updated 3 years ago
- Protein target prediction using random forests and reliability-density neighbourhood analysis☆41Updated 5 years ago