LeeJunHyun / Database-Resources-for-Drug-DiscoveryLinks
The Databases for Drug Discovery (DDD)
☆145Updated 7 years ago
Alternatives and similar repositories for Database-Resources-for-Drug-Discovery
Users that are interested in Database-Resources-for-Drug-Discovery are comparing it to the libraries listed below
Sorting:
- Protein-compound affinity prediction through unified RNN-CNN☆150Updated last year
- DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images☆114Updated last year
- machine learning, molecular descriptor☆118Updated 2 years ago
- MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)☆219Updated 3 years ago
- Literature of deep learning for graphs in Chemistry and Biology☆202Updated 4 years ago
- Protein Interface Prediction using Graph Convolutional Networks☆93Updated 5 years ago
- Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders☆53Updated 5 years ago
- 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
- Protein Secondary Structure predictor using Convolutional Neural Networks☆113Updated 2 years ago
- Source code for "DeepDTA: deep drug-target binding affinity prediction"☆287Updated 2 years ago
- ☆98Updated 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
- A collection of resources useful for leveraging big data and AI for drug discovery. It mainly serves as an orientation for new lab folks.…☆199Updated 2 years ago
- MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning☆143Updated 3 weeks ago
- An up-to-date list of papers and code relating to progress in the burgeoning field of AI-Drug Discovery☆43Updated 3 weeks ago
- ☆61Updated 6 years ago
- GraphDTA: Predicting drug-target binding affinity with graph neural networks☆280Updated 4 years ago
- ☆81Updated 2 years ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆167Updated 2 years ago
- a novel DTA predition method using graph neural network☆75Updated 2 years ago
- ProteinGCN: Protein model quality assessment using Graph Convolutional Networks☆119Updated last year
- Interpreting graph convolutional filters of target prediction network☆48Updated 6 years ago
- Moleculenet.ai Datasets And Splits☆105Updated 4 years ago
- DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences☆78Updated 3 years ago
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆125Updated last year
- A curated list of resources for machine learning for small-molecule drug discovery☆229Updated last year
- Modelling the Language of Life - Deep Learning Protein Sequences☆74Updated 4 years ago
- This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…☆44Updated 6 years ago
- Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures☆281Updated 3 years ago
- Paratope Prediction using Deep Learning☆61Updated 2 years ago