liambll / drug-efficacy-prediction
Predicting anti-HIV activity of chemical molecules - Python, RDKit, Scikit-learn, Keras, Tensorflow
☆15Updated 5 years ago
Alternatives and similar repositories for drug-efficacy-prediction:
Users that are interested in drug-efficacy-prediction are comparing it to the libraries listed below
- Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design☆12Updated 3 years ago
- Molecular vectorization and batch generation☆51Updated 3 years ago
- ☆45Updated 2 years ago
- source code for deppHop☆33Updated 2 years ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆61Updated 8 months ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 2 years ago
- MGA☆42Updated 4 years ago
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- K-BERT for molecular property prediction.☆29Updated 2 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆14Updated 4 years ago
- Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert☆12Updated 4 months ago
- ☆41Updated last year
- Code for training machine learning model for reaction condition prediction☆39Updated 4 years ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆30Updated 2 years ago
- ☆9Updated last year
- DeepCDA☆13Updated 4 years ago
- Python for chemoinformatics☆51Updated 5 years ago
- ☆30Updated 5 years ago
- ☆46Updated 5 years ago
- ☆49Updated 2 years ago
- ☆11Updated 3 years ago
- ☆25Updated 5 years ago
- Boosting Docking-Based Virtual Screening with Deep Learning☆31Updated 4 years ago
- Drug-target binding affinity prediction using representation learning, graph mining, and machine learning☆24Updated 2 years ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆27Updated 3 years ago
- Mol2vec notebooks for use with Binder service☆29Updated 6 years ago
- Protein target prediction using random forests and reliability-density neighbourhood analysis☆40Updated 4 years ago
- Optimization of binding affinities in chemical space for drug discovery☆36Updated 2 years ago
- Extended Connectivity Interaction Features☆30Updated 3 years ago
- a novel DTA predition method using graph neural network☆74Updated last year