Skip to content

README.md

Latest commit

 

History

History
15 lines (13 loc) · 488 Bytes

README.md

File metadata and controls

15 lines (13 loc) · 488 Bytes

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.