liambll / drug-efficacy-predictionLinks
Predicting anti-HIV activity of chemical molecules - Python, RDKit, Scikit-learn, Keras, Tensorflow
☆16Updated 6 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
Sorting:
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆28Updated 4 years ago
- Multiobjective De Novo Drug Design with Recurrent Neural Networks and Nondominated Sorting☆18Updated 5 years ago
- Mol2vec notebooks for use with Binder service☆29Updated 7 years ago
- A Python implementation for training a neural network for predicting drug-protein interactions using Keras and Tensorflow☆18Updated 7 years ago
- ☆47Updated 5 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Updated 5 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
- Drug-target binding affinity prediction using representation learning, graph mining, and machine learning☆25Updated 3 years ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 2 years ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆28Updated 2 years ago
- ☆45Updated 3 years ago
- Derivation of structural alerts from bioactivity data sets☆30Updated 9 years ago
- Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design☆14Updated 4 years ago
- Interpretable PROTAC degradation prediction with structure-informed deep ternary attention framework☆12Updated 3 weeks ago
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- comparing drug classification methods☆22Updated 5 years ago
- Protein target prediction using random forests and reliability-density neighbourhood analysis☆41Updated 5 years ago
- Coloring molecules with explainable artificial intelligence☆16Updated 4 years ago
- Generative Adversarial Network: Optimization in Targeted Design☆14Updated 3 years ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆32Updated last week
- Open Drug Metabolism & PharmacoKinetics (OpenDMPK) is an open source data resource and toolkit for predicting drug metabolism and pharmac…☆26Updated 3 years ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆75Updated last year
- This is a deep learning model used to predict molecular energy☆13Updated 6 years ago
- Integrative modeling of PROTAC-mediated ternary complex☆28Updated 3 years ago
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆40Updated 3 years ago
- Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…☆14Updated 11 years ago
- An up-to-date list of papers and code relating to progress in the burgeoning field of AI-Drug Discovery☆43Updated this week
- Python implementation of common ADME properties.☆37Updated 2 years ago
- Supporting Information of Publications☆14Updated 6 years ago
- ☆33Updated last year