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.