DL4DR

Availability
A new version of DL4DR based on the latest convolutional neural network (CNN) techniques will be available here after the manuscripts are published. An old version of Java-based deep learning program (JavaDL) is freely available for downloading here.

Implementation
The easiest way to access our newest version of DL4DR is by pulling its Docker image from DockerHub and running it using Docker engine. The image runs on Mac OS, Windows and various linux operating systems supported by the Docker engine. This takes care of all the dependencies as well as reproducibility issues. To run the image, users need to provide a folder path, SMILE strings in smi file format, and cell line name. The result files are generated in the provided folder. Additionally, users can run the image on HPC in parallel using either SLURM or SGE queue system without interfering with previously installed software or databases.

Commands
1) docker pull imdl/dl4dr
2) docker run -t -v folderpath:/home/dl4dr/output imdl/dl4dr output/[smifilename] [celllinename]

Options
1) smifilename: SMILES File Example
2) celllinename: At present, we provide models for three cell lines: MDA-MB-231, HCC-1937, and MDA-MB-453.

Example
docker run -t -v C:/myfolder:/home/dl4dr/output imdl/dl4dr output/pyroles.smi MDA-MB-231

Citation: will be available once it is published.