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dgl-lifesci

Python package for graph neural networks in chemistry and biology

dgraphdta

a novel DTA predition method using graph neural network

diffdock

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

differentialexpression_tuturial

difflinker

DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design

dl-docker

An all-in-one Docker image for deep learning. Contains all the popular DL frameworks (TensorFlow, Theano, Torch, Caffe, etc.)

dl_in_vs_review

Deep learning in virtual screening, a review

dlscore

DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity

dnascan

DNAscan is a fast and efficient bioinformatics pipeline that allows for the analysis of DNA Next Generation sequencing data, requiring very little computational effort and memory usage.

dnilmf

DTI predictions by dual-network integrated logistic matrix factorization

dnn-dtis

DNN-DTIs: improved drug-target interactions prediction using XGBoost feature selection and deep neural network

docker-galaxy-stable

:whale::bar_chart::books: Docker Images tracking the stable Galaxy releases.

docker-solubility

Docker for reproducing solubility model

docker-spark

Docker build for Apache Spark

docker-x11-xpra

A docker image proving a basis for X application accessible via ssh with or without xpra and optionally use xephyr and i3

dockeye_multi

docking_py

Docking_py is a python library allowing a simplified use of the Smina, vina, qvina2 and qvinaw docking software. Docking_py can be easily automatize and scripted.

dockingml

A package for MD, Docking and Machine learning drug discovery pipeline

dockstreamcommunity

drc

Fitting dose-response models in R

drkg

A knowledge graph and a set of tools for drug repurposing

drug-sensitivity-prediction

drug-sniffer

Sniffing out new drugs

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"

drugai

Generation and Classification of Drug Like molecule usings Neural Networks

drugai_drug-likeness

Drug-Likeness

drugbank

User-friendly extensions of the DrugBank database