rnaimehaom Goto Github PK

drug-molecular-toxicity-predictor

A Python project that trains a Convolutional Neural Network (CNN) and uses it to predict whether a chemical is toxic or not based on its molecular structure (represented in the SMILES format).

drug-molecule-generation

drug-repurposing-in-knime

An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data

drug-sniffer

Sniffing out new drugs

drug-solubility-predictor

Predicting Drug Solubility using ML models as a part of a Minor Research project

drug-target-interaction-prediciton-method

This repository provides an implementation of the DTiGEMSplus tool, a network-based method for computational Drug-Target Interaction prediction using graph embedding, graph mining, and similarity-based techniques

drug-target-prediction

drug-target-profiler

drug-test-design

Notebooks used in my Master's thesis "Assessment of generative algorithms for engineering of new molecules to treat skin diseases"

drug-toxicity-prediction-project

Convolutional Neural Network for detecting drug toxicity

drug2vec

a linear method to compress drug drug interactions into linear vectors

drugai

Generation and Classification of Drug Like molecule usings Neural Networks

drugai-1

Graph Neural Networks for Drug Efficacy Prediction

drugai_drug-likeness

Drug-Likeness

drugai_molgen

Currently only open-source a scaffold of the drug lead molecule generator using small LSTM network. More code will be released once we publish our work.

drugbank

User-friendly extensions of the DrugBank database

drugcell

A visible neural network model for drug response prediction

drugdesign

Code for the paper (in review, will be added soon)

drugdesign-1

PyMOL

drugdesign-2

Molecular docking, simulation and binding free energy analysis of small molecules as PfHT1 inhibitors

drugdisco

A high throughput automated drug discovery pipeline.

drugdiscovery

Ames mutagenicity and Lipophilicity prediction based on molecular descriptors.

drugdiscovery-covid19

Created Multiobjective de novo drug design with recurrent neural networks to generate randomized SMILES (molecules) •Integrated Pathway Enrichment Analyses, Auto-Dock, and ADMET filters to test ligand binding affinity

drugembedding

Hierarchical Embedding for Drugs

drugex

Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology

druggcn

Predict drug response with graph convolutional network.

druggennn

CharRNN for SMILEs generation.

drugmoleculartoxicityprediction

drugmonizome-ml

Drugmonizome-ML – predict drugs for COVID-19 with drugmonizome and machine learning

drugresponse

Analysis of drug response based on cell staining