Nature Product Classifier

Introduction

This repository contains the framework and code for constructing a toy nature product classifier with molecular SMILES and recurrent neural network. It is used to distinguish between natural product and synthetic molecules.

Usage

Tutorials are in the NP-Classifier.ipynb.

Requirments

This package requires:

• Python 3.6
• PyTorch 0.4.0
• RDKit
• Jupyter notebook

Authors:

This software is written by SJ Zheng.