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dl-project---predicting-solubility

This is a personal project on predicting solubility using Neural Network

dl4chem-mgm

dl4moleculargraph

Literature of deep learning for graphs in Chemistry and Biology

dl_in_vs_review

Deep learning in virtual screening, a review

dl_molecules

dl_quantmap

Deep learning implementation of quantmap method

dlfg

Deep Learning Fragment Generator

dligand2

dlscore

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

dltk

Deep Learning Toolkit for Medical Image Analysis

dm

Working with relational data models in R

dmol-book

Deep learning for molecules and materials book

dmv

Drive Molecule Viewer - The NGL molecule viewer with Google Drive integrations [WIP]

dna_barcodes

quantify lipid nanoparticle delivery to cells using DNA barcodes

dnaworks

Automatic oligonucleotide design for PCR-based gene synthesis

dnn-dtis

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

dnn-toxicity-prediction

A convolutional neural network predicts the toxicity of a drug based on its molecular structure.

dnn_conditional-wgan

Conditional WGAN was used to improve protein solubility prediction performance of DNN by data augmentation.

dock2interaction_profile

This is a simple script to use [plip](https://github.com/pharmai/plip) to batch analysis of interactions between proteins and ligands that are results of smina (vina) docking.

docker-compose-django-rdkit

docker-compose + Django + RDKit database cartridge + PostgreSQL

docker-compose-razi

docker-compose + JupyterNotebook + RDKit database cartridge + PostgreSQL

docker-osra

OSRA (Optical Structure Recognition Application) in Docker

docker-solubility

Docker for reproducing solubility model

docking-scoring

Molecular docking scoring

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

dockpipe

This is a whole pipeline for molecular docking and interaction analysis.

dockstream

DockStream: A Docking Wrapper to Enhance De Novo Molecular Design

dockstreamcommunity

dockstring

A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.