OUR-2018

This repository contains the files created and used for the Opportunities for Undergraduate Research Program (OUR), 2018.

Topic of the OUR - Application of Capsule Nets Pharmacophore-based Virtual High-throughput Screening

Files Information

cmap.py - This script is used to create the heatmaps from a connection matrix of a given dataset and save them in a folder.
Draw Images from Connection Matrix.py - This is the initial script to plot the heatmaps of the connection matrices.
Preparing the Matrices.py - Making all the matrices of the same size by padding.

Name		Name	Last commit message	Last commit date
Latest commit History 23 Commits
Heatmaps CDK2		Heatmaps CDK2
Capsnet GCP.py		Capsnet GCP.py
Capsnet OUR 2.ipynb		Capsnet OUR 2.ipynb
Draw Images from Connection Matrix.py		Draw Images from Connection Matrix.py
KNN_RECON_Descriptors.ipynb		KNN_RECON_Descriptors.ipynb
Preparing the matrices.py		Preparing the matrices.py
README.md		README.md
SVM_RECON_Descriptors.ipynb		SVM_RECON_Descriptors.ipynb
capsulelayers.py		capsulelayers.py
cmap.py		cmap.py
hex_to_binary.py		hex_to_binary.py
trained_model.h5		trained_model.h5