LeeJunHyun / Database-Resources-for-Drug-DiscoveryLinks
The Databases for Drug Discovery (DDD)
☆143Updated 6 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☆147Updated 10 months ago
- Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders☆53Updated 4 years ago
- MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)☆209Updated 2 years ago
- DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images☆113Updated 10 months 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.…☆190Updated last year
- Literature of deep learning for graphs in Chemistry and Biology☆200Updated 4 years ago
- machine learning, molecular descriptor☆113Updated 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
- Source code for "DeepDTA: deep drug-target binding affinity prediction"☆254Updated last year
- Protein Interface Prediction using Graph Convolutional Networks☆93Updated 4 years ago
- ☆98Updated 5 years ago
- An up-to-date list of papers and code relating to progress in the burgeoning field of AI-Drug Discovery☆43Updated 5 years ago
- MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning☆141Updated last month
- The official implementation of the Molecule Attention Transformer.☆245Updated 5 years ago
- A curated list of resources for machine learning for small-molecule drug discovery☆222Updated last year
- Moleculenet.ai Datasets And Splits☆99Updated 4 years ago
- Open Drug Discovery Toolkit☆437Updated 2 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 novel DTA predition method using graph neural network☆74Updated last year
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆164Updated 2 years ago
- Deep Reinforcement Learning for de-novo Drug Design☆360Updated 3 years ago
- ☆354Updated last week
- GraphDTA: Predicting drug-target binding affinity with graph neural networks☆254Updated 4 years ago
- Deep generative models of 3D grids for structure-based drug discovery☆233Updated 2 years ago
- Generative Models for Graph-Based Protein Design☆277Updated 4 years ago
- Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures☆266Updated 2 years ago
- SMILES enumeration for QSAR modelling using LSTM recurrent neural networks☆237Updated 3 years ago
- DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences☆75Updated 3 years ago
- ☆61Updated 6 years ago
- Awesome De novo drugs design papers☆87Updated last year